KEGG   DRUG: Argatroban
Entry
D00181                      Drug                                   
Name
Argatroban (USP);
Argatroban hydrate (JP18);
Novastan (TN)
Product
ARGATROBAN (Accord Healthcare), ARGATROBAN (Eugia US LLC), ARGATROBAN (Fresenius Kabi USA), ARGATROBAN (Hikma Pharmaceuticals USA), ARGATROBAN (Hikma Pharmaceuticals USA), ARGATROBAN (Hikma Pharmaceuticals USA)
  Generic
ARGATROBAN (Amneal Pharmaceuticals LLC), ARGATROBAN (Caplin Steriles Limited), ARGATROBAN (Endo USA), ARGATROBAN (Endo USA), ARGATROBAN (Fresenius Kabi USA), ARGATROBAN (Gland Pharma Limited), ARGATROBAN (Gland Pharma Limited), ARGATROBAN (Hospira), ARGATROBAN (Mylan Institutional LLC), ARGATROBAN (Sagent Pharmaceuticals)
Formula
C23H36N6O5S. H2O
Exact mass
526.2574
Mol weight
526.65
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01511  Thrombin inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2190
ATC code: B01AE03
Chemical structure group: DG00163
Product (DG00163): D00181<JP/US>
Efficacy
Anticoagulant, Thrombin inhibitor
Comment
Direct thrombin inhibitor
Target
F2a [CPD:C00752] [HSA:2147] [KO:K01313]
  Pathway
hsa04610  Complement and coagulation cascades
hsa04611  Platelet activation
  Network
nt06514  Coagulation cascade
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07049  Antithrombosis agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AE Direct thrombin inhibitors
     B01AE03 Argatroban
      D00181  Argatroban (USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D00181  Argatroban (USP); Argatroban hydrate (JP18)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01511  Thrombin inhibitor
    DG00163  Argatroban
     D00181  Argatroban
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00163  Argatroban
     D00181  Argatroban
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    F2a
     D00181  Argatroban (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00181  Argatroban hydrate
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D00181
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D00181
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00181
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01511  Thrombin inhibitor
    DG00163  Argatroban
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00163  Argatroban
Other DBs
CAS: 141396-28-3
PubChem: 7847249
LigandBox: D00181
LinkDB
KCF data

ATOM        36
            1   C8y C    18.1598  -18.5916
            2   C8y C    16.9465  -17.8857
            3   C8y C    18.1539  -19.9972
            4   N1x N    19.3788  -17.8917
            5   S4a S    16.9525  -16.4919
            6   C8x C    15.7334  -18.5916
            7   C8x C    16.9465  -20.6912
            8   C1x C    19.3672  -20.6971
            9   C1x C    20.5919  -18.6033
            10  N1b N    18.1598  -15.7977
            11  O3c O    15.7451  -15.7919
            12  O3c O    18.2299  -17.2727
            13  C8x C    15.7334  -19.9972
            14  C1y C    20.5862  -20.0088
            15  C1c C    18.1598  -14.4037
            16  C1a C    21.7877  -20.7088
            17  C5a C    19.3729  -13.7038
            18  C1b C    16.9525  -13.7038
            19  N1y N    20.5803  -14.4037
            20  O5a O    19.3729  -12.3100
            21  C1b C    15.7451  -14.3980
            22  C1y C    21.7819  -13.7038
            23  C1x C    20.5687  -15.7919
            24  C1b C    14.5378  -13.6981
            25  C1x C    22.9893  -14.4037
            26  C6a C    21.7819  -12.3100
            27  C1x C    21.7760  -16.4919
            28  N1b N    13.3305  -14.3980
            29  C1y C    22.9893  -15.7977
            30  O6a O    22.9893  -11.6101
            31  O6a O    20.5687  -11.6101
            32  C2c C    12.1230  -13.6981
            33  C1a C    24.1964  -16.4976
            34  N1a N    10.9099  -14.3920
            35  N2a N    12.1230  -12.2984
            36  O0  O    26.4235  -19.0021
BOND        37
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    5  12 2
            12    6  13 1
            13    8  14 1
            14   15  10 1 #Up
            15   14  16 1
            16   15  17 1
            17   15  18 1
            18   17  19 1
            19   17  20 2
            20   18  21 1
            21   19  22 1
            22   19  23 1
            23   21  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   23  27 1
            27   24  28 1
            28   25  29 1
            29   26  30 1
            30   26  31 2
            31   28  32 1
            32   29  33 1 #Down
            33   32  34 1
            34   32  35 2
            35    7  13 2
            36    9  14 1
            37   27  29 1

» Japanese version   » Back

KEGG   DRUG: Dabigatran etexilate mesylate
Entry
D07082                      Drug                                   
Name
Dabigatran etexilate mesylate (USAN);
Dabigatran etexilate methanesulfonate (JAN);
Dabigatran etexilate mesilate;
Pradaxa (TN)
Product
PRADAXA (Boehringer Ingelheim Pharmaceuticals), PRADAXA (Boehringer Ingelheim Pharmaceuticals), PRADAXA (Bryant Ranch Prepack)
  Generic
DABIGATRAN (A-S Medication Solutions), DABIGATRAN (A-S Medication Solutions), DABIGATRAN (AvKARE), DABIGATRAN (AvPAK), DABIGATRAN (Novadoz Pharmaceuticals LLC), DABIGATRAN ETEXILATE (Alembic Pharmaceuticals Limited), DABIGATRAN ETEXILATE (Alembic Pharmaceuticals), DABIGATRAN ETEXILATE (American Health Packaging), DABIGATRAN ETEXILATE (Apotex Corp.), DABIGATRAN ETEXILATE (Ascend Laboratories), DABIGATRAN ETEXILATE (Aurobindo Pharma Limited), DABIGATRAN ETEXILATE (Camber Pharmaceuticals), DABIGATRAN ETEXILATE (Dr.Reddys Laboratories), DABIGATRAN ETEXILATE (Major Pharmaceuticals), DABIGATRAN ETEXILATE (Mylan Pharmaceuticals), DABIGATRAN ETEXILATE (XLCare Pharmaceuticals)
Formula
C34H41N7O5. CH4SO3
Exact mass
723.3050
Mol weight
723.84
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01511  Thrombin inhibitor
  DG03320  Direct oral anticoagulant (DOAC)
Transporter substrate
 DG01665  ABCB1 substrate
Remark
Therapeutic category: 3339
ATC code: B01AE07
Chemical structure group: DG00164
Product (DG00164): D07082<JP/US>
Efficacy
Anticoagulant, Thrombin inhibitor
Comment
Active form of prodrug: Dabigatran [DR:D09707]
Deep vein thrombosis after surgery, venous thromboembolic events, stroke prevention in atrial fibrillation
Target
F2a [CPD:C00752] [HSA:2147] [KO:K01313]
  Pathway
hsa04610  Complement and coagulation cascades
hsa04611  Platelet activation
  Network
nt06514  Coagulation cascade
Metabolism
Transporter: ABCB1 [HSA:5243]
Interaction
Structure map
map07049  Antithrombosis agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AE Direct thrombin inhibitors
     B01AE07 Dabigatran etexilate
      D07082  Dabigatran etexilate mesylate (USAN) <JP/US>
USP drug classification [BR:br08302]
 Blood Products and Modifiers
  Anticoagulants
   Direct Thrombin Inhibitors
    Dabigatran
     D07082  Dabigatran etexilate mesylate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  33  Blood and body fluid agents
   333  Anticoagulants
    3339  Others
     D07082  Dabigatran etexilate mesylate (USAN); Dabigatran etexilate methanesulfonate (JAN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01511  Thrombin inhibitor
    DG00164  Dabigatran
     D07082  Dabigatran etexilate mesylate
   DG03320  Direct oral anticoagulant (DOAC)
    DG00164  Dabigatran
     D07082  Dabigatran etexilate mesylate
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00164  Dabigatran
    D07082  Dabigatran etexilate mesylate
Drug classes [BR:br08332]
 Anticoagulant
  DG03320  Direct oral anticoagulant (DOAC)
   D07082  Dabigatran etexilate mesylate
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    F2a
     D07082  Dabigatran etexilate mesylate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D07082
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D07082
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D07082
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D07082
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D07082
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01511  Thrombin inhibitor
    DG00164  Dabigatran
   DG03320  Direct oral anticoagulant (DOAC)
    DG00164  Dabigatran
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00164  Dabigatran
Other DBs
CAS: 872728-81-9
PubChem: 51091424
LigandBox: D07082
LinkDB
KCF data

ATOM        51
            1   C1b C    24.1160  -15.2681
            2   C1a C    25.3344  -15.9715
            3   O7a O    22.8977  -15.9715
            4   C7a C    21.6964  -15.2777
            5   C1b C    20.5032  -15.9666
            6   C1b C    19.3061  -15.2752
            7   N1c N    18.1108  -15.9653
            8   C5a C    16.9148  -15.2746
            9   C8y C    15.7190  -15.9650
            10  O5a O    16.9148  -13.8614
            11  C8x C    14.5234  -15.2744
            12  C8y C    13.3048  -15.9776
            13  C8y C    13.3046  -17.3845
            14  C8x C    14.5004  -18.0750
            15  C8x C    15.7188  -17.3718
            16  O6a O    21.6963  -13.8615
            17  N5x N    11.9669  -15.5428
            18  C8y C    11.1398  -16.6807
            19  N4y N    11.9666  -17.8191
            20  C1a C    11.5351  -19.1457
            21  C1b C     9.7662  -16.6804
            22  N1b N     9.0649  -17.8945
            23  C8y C     7.6561  -17.8942
            24  C8x C     6.9427  -16.6582
            25  C8x C     5.5358  -16.6580
            26  C8y C     4.8323  -17.8763
            27  C8x C     5.5457  -19.1124
            28  C8x C     6.9526  -19.1125
            29  C2c C     3.4354  -17.8761
            30  N1a N     2.7342  -19.0904
            31  N2b N     2.7297  -16.6536
            32  C7a C     3.4247  -15.4505
            33  O7a O     4.8419  -15.4506
            34  O6a O     2.7365  -14.2582
            35  C1b C     5.5334  -14.2538
            36  C1b C     6.9522  -14.2539
            37  C1b C     7.6433  -13.0578
            38  C1b C     9.0625  -13.0579
            39  C1b C     9.7534  -11.8618
            40  C1a C    11.1728  -11.8619
            41  C8y C    18.1200  -17.3710
            42  N5x N    16.9307  -18.0683
            43  C8x C    16.9400  -19.4691
            44  C8x C    18.1577  -20.1613
            45  C8x C    19.3471  -19.4640
            46  C8x C    19.3377  -18.0633
            47  S4a S    31.0083  -15.9012
            48  O1d O    31.0091  -17.3080
            49  O1d O    30.9780  -14.4946
            50  O1d O    32.4150  -15.8856
            51  C1a C    29.6015  -15.9168
BOND        53
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2
            10    9  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15    9  15 1
            16    4  16 2
            17   12  17 1
            18   17  18 2
            19   18  19 1
            20   13  19 1
            21   19  20 1
            22   18  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   23  28 1
            31   26  29 1
            32   29  30 1
            33   29  31 2
            34   31  32 1
            35   32  33 1
            36   32  34 2
            37   33  35 1
            38   35  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 1
            42   39  40 1
            43    7  41 1
            44   41  42 2
            45   42  43 1
            46   43  44 2
            47   44  45 1
            48   45  46 2
            49   41  46 1
            50   47  48 2
            51   47  49 2
            52   47  50 1
            53   47  51 1

» Japanese version   » Back

KEGG   DRUG: Emicizumab
Entry
D10821                      Drug                                   
Name
Emicizumab (USAN/INN);
Emicizumab (genetical recombination) (JAN);
Hemlibra (TN)
Product
HEMLIBRA (Genentech)
Formula
C2164H3334N572O690S18
Exact mass
48949.8354
Mol weight
48980.25
Sequence
(Heavy chain)
QVQLVESGGG LVQPGGSLRL SCAASGFTFS YYDIQWVRQA PGKGLEWVSS ISPSGQSTYY
RREVKGRFTI SRDNSKNTLY LQMNSLRAED TAVYYCARRT GREYGGGWYF DYWGQGTLVT
VSSASTKGPS VFPLAPCSRS TSESTAALGC LVKDYFPEPV TVSWNSGALT SGVHTFPAVL
QSSGLYSLSS VVTVPSSSLG TQTYTCNVDH KPSNTKVDKR VESKYGPPCP PCPAPEFLGG
PSVFLFPPKP KDTLMISRTP EVTCVVVDVS QEDPEVQFNW YVDGVEVHNA KTKPREEQYN
STYRVVSVLT VLHQDWLNGK EYKCKVSNKG LPSSIEKTIS KAKGQPREPQ VYTLPPSQKE
MTKNQVSLTC LVKGFYPSDI AVEWESNGQP ENNYKTTPPV LDSDGSFFLY SKLTVDKSRW
QEGNVFSCSV MHEALHNRYT QKSLSLSP
(heavy chain)
QVQLVQSGSE LKKPGASVKV SCKASGYTFT DNNMDWVRQA PGQGLEWMGD INTRSGGSIY
NEEFQDRVIM TVDKSTDTAY MELSSLRSED TATYHCARRK SYGYYLDEWG EGTLVTVSSA
STKGPSVFPL APCSRSTSES TAALGCLVKD YFPEPVTVSW NSGALTSGVH TFPAVLQSSG
LYSLSSVVTV PSSSLGTQTY TCNVDHKPSN TKVDKRVESK YGPPCPPCPA PEFLGGPSVF
LFPPKPKDTL MISRTPEVTC VVVDVSQEDP EVQFNWYVDG VEVHNAKTKP REEQYNSTYR
VVSVLTVLHQ DWLNGKEYKC KVSNKGLPSS IEKTISKAKG QPREPQVYTL PPSQEEMTKN
QVSLTCLVKG FYPSDIAVEW ESNGQPENNY KTTPPVLDSD GSFFLYSKLT VDKSRWQEGN
VFSCSVMHEA LHNHYTQESL SLSP
(Light chain)
DIQMTQSPSS LSASVGDRVT ITCKASRNIE RQLAWYQQKP GQAPELLIYQ ASRKESGVPD
RFSGSRYGTD FTLTISSLQP EDIATYYCQQ YSDPPLTFGG GTKVEIKRTV AAPSVFIFPP
SDEQLKSGTA SVVCLLNNFY PREAKVQWKV DNALQSGNSQ ESVTEQDSKD STYSLSSTLT
LSKADYEKHK VYACEVTHQG LSSPVTKSFN RGEC
(Disulfide bridge: H22-H96, H137-L214, H150-H206, H229-h225, H232-h228, H264-H324, H370-H428, h22-h96, h133-L'214, h146-h202, h260-h320, h366-h424, L23-L88, L134-L194, L'23-L'88, L'134-L'194)
  Type
Peptide
Remark
Therapeutic category: 6349
ATC code: B02BX06
Product: D10821<JP/US>
Efficacy
Bleeding suppressant, Factor VIII replacement
  Disease
Hemophilia A [DS:H00219]
  Type
Bispecific antibody
Comment
Preventing bleeding in adults and children with hemophilia A
Target
F9a [CPD:C03259] [HSA:2158] [KO:K01321]
F10 [HSA:2159] [KO:K01314]
  Pathway
hsa04610  Complement and coagulation cascades
  Network
nt06514  Coagulation cascade
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B02 ANTIHEMORRHAGICS
   B02B VITAMIN K AND OTHER HEMOSTATICS
    B02BX Other systemic hemostatics
     B02BX06 Emicizumab
      D10821  Emicizumab (USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Blood Products and Modifiers
  Blood Component Deficiency/ Replacement
   Blood Component Deficiency/ Replacement, Hemophilia A
    Emicizumab
     D10821  Emicizumab (USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  63  Biological preparations
   634  Human blood preparations
    6349  Others
     D10821  Emicizumab (USAN/INN); Emicizumab (genetical recombination) (JAN)
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    F9a
     D10821  Emicizumab (USAN/INN) <JP/US>
    F10
     D10821  Emicizumab (USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10821
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10821
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10821
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10821
Other DBs
CAS: 1610943-06-0
PubChem: 319902621
LinkDB

» Japanese version   » Back

KEGG   DRUG: Fondaparinux sodium
Entry
D01844                      Drug                                   
Name
Fondaparinux sodium (JAN/USP/INN);
Arixtra (TN)
Product
ARIXTRA (Mylan Institutional LLC)
  Generic
FONDAPARINUX SODIUM (Dr. Reddy's Laboratories Limited), FONDAPARINUX SODIUM (Eugia US LLC), FONDAPARINUX SODIUM (Italfarmaco S.p.A), FONDAPARINUX SODIUM (Mylan Institutional LLC), FONDAPARINUX SODIUM (Sandoz), FONDAPARINUX SODIUM (Zydus Pharmaceuticals (USA))
Formula
C31H43N3O49S8. 10Na
Exact mass
1726.7708
Mol weight
1728.10
Structure
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01662  Factor Xa inhibitor
Remark
Therapeutic category: 3339
ATC code: B01AX05
Product: D01844<JP/US>
Efficacy
Antithrombotic, Factor Xa inhibitor
Target
SERPINC1 (AT3) [HSA:462] [KO:K03911]
F10a [CPD:C01065] [HSA:2159] [KO:K01314]
  Pathway
hsa04610  Complement and coagulation cascades
  Network
nt06514  Coagulation cascade
Interaction
Structure map
map07049  Antithrombosis agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AX Other antithrombotic agents
     B01AX05 Fondaparinux
      D01844  Fondaparinux sodium (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Blood Products and Modifiers
  Anticoagulants
   Factor Xa Inhibitors, Indirect
    Fondaparinux
     D01844  Fondaparinux sodium (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  33  Blood and body fluid agents
   333  Anticoagulants
    3339  Others
     D01844  Fondaparinux sodium (JAN/USP/INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01662  Factor Xa inhibitor
    D01844  Fondaparinux sodium
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    F10a
     D01844  Fondaparinux sodium (JAN/USP/INN) <JP/US>
  Peptidase inhibitors
   Serpin family
    SERPINC1 (AT3)
     D01844  Fondaparinux sodium (JAN/USP/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D01844
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01844
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01844
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01844
Other DBs
CAS: 114870-03-0
PubChem: 7848906
ChEBI: 31632
LigandBox: D01844
NIKKAJI: J1.878.798I
LinkDB
KCF data

ATOM        101
            1   C1y C    19.9001  -15.0491
            2   C1y C    19.9001  -16.4350
            3   C1y C    21.1004  -17.1280
            4   C1y C    22.3007  -16.4350
            5   O2x O    22.3007  -15.0491
            6   C1y C    21.1004  -14.3561
            7   O2a O    23.5010  -17.1280
            8   C1y C    24.7012  -16.4350
            9   C1y C    24.7012  -15.0491
            10  O1a O    23.5010  -14.3561
            11  C1y C    25.9015  -17.1280
            12  O2x O    27.1018  -16.4350
            13  C1y C    27.1018  -15.0491
            14  C1y C    25.9015  -14.3561
            15  O2a O    28.3020  -17.1280
            16  C1y C    29.5023  -16.4350
            17  C1y C    29.5023  -15.0491
            18  O2a O    28.3020  -14.3561
            19  C1y C    30.7026  -17.1280
            20  C1y C    31.9029  -16.4350
            21  O2x O    31.9029  -15.0491
            22  C1y C    30.7026  -14.3561
            23  O2a O    33.1032  -17.1280
            24  C1y C    34.3034  -16.4350
            25  C1y C    34.3034  -15.0491
            26  O1a O    33.1032  -14.3561
            27  C1y C    35.5037  -17.1280
            28  O2x O    36.7040  -16.4350
            29  C1y C    36.7040  -15.0491
            30  C1y C    35.5037  -14.3561
            31  O1a O    37.9042  -17.1280
            32  C1y C    39.1045  -16.4350
            33  C1y C    39.1045  -15.0491
            34  O2a O    37.9042  -14.3561
            35  C1y C    40.3048  -17.1280
            36  C1y C    41.5050  -16.4350
            37  O2x O    41.5050  -15.0491
            38  C1y C    40.3048  -14.3561
            39  O1a O    18.6999  -17.1280
            40  C1b C    21.1004  -12.9703
            41  O1a O    25.9015  -12.9704
            42  C1b C    30.7026  -12.9701
            43  O2a O    35.5037  -12.9701
            44  C1b C    40.3048  -12.9705
            45  O1a O    18.6999  -14.3561
            46  N1b N    21.1004  -18.5138
            47  C6a C    25.9015  -19.2067
            48  N1b N    30.7026  -18.8605
            49  O2a O    42.7172  -17.1350
            50  N1b N    40.3048  -18.8601
            51  C6a C    35.5037  -18.5140
            52  C1a C    43.9069  -16.4481
            53  S4a S    19.8835  -19.2165
            54  O1d O    18.6832  -19.9094
            55  O1d O    20.5765  -20.4167 #-
            56  O1d O    19.1905  -18.0164
            57  O2a O    22.2840  -12.2868
            58  S4a S    23.4842  -11.5938
            59  O1d O    24.6846  -10.9008
            60  O1d O    24.4689  -12.5787
            61  O1d O    22.5093  -10.6187 #-
            62  O2a O    41.4818  -12.2908
            63  S4a S    42.6820  -11.5979
            64  O1d O    43.8822  -10.9049
            65  O1d O    41.9874  -10.3949 #-
            66  O1d O    43.3733  -12.7951
            67  S4a S    36.6954  -12.2822
            68  O2a O    31.9089  -12.2737
            69  S4a S    33.1091  -11.5807
            70  O1d O    34.3094  -10.8877
            71  O1d O    32.4247  -10.3947 #-
            72  O1d O    33.8100  -12.7952
            73  O1d O    37.8956  -11.5892 #-
            74  O1d O    35.9942  -11.0673
            75  O1d O    37.3796  -13.4678
            76  S4a S    28.3020  -18.5140
            77  O1d O    28.3020  -19.8999 #-
            78  O1d O    29.6711  -18.5140
            79  O1d O    26.8992  -18.5140
            80  O6a O    36.6954  -19.2019 #-
            81  O6a O    34.2948  -19.2120
            82  O6a O    27.1224  -19.9118
            83  O6a O    24.7219  -19.8879 #-
            84  S4a S    31.9089  -19.5569
            85  S4a S    41.4818  -19.5398
            86  O1d O    33.1091  -20.2499 #-
            87  O1d O    31.2125  -20.7633
            88  O1d O    32.5982  -18.3628
            89  O1d O    42.6820  -20.2328
            90  O1d O    40.7757  -20.7633
            91  O1d O    42.1610  -18.3627 #-
            92  Z   Na   20.5931  -10.6140 #+
            93  Z   Na   22.1177  -20.4543 #+
            94  Z   Na   40.0658  -10.4061 #+
            95  Z   Na   30.3641  -10.4061 #+
            96  Z   Na   37.5711  -10.4754 #+
            97  Z   Na   28.2852  -20.9394 #+
            98  Z   Na   37.6404  -19.9692 #+
            99  Z   Na   24.4738  -20.9394 #+
            100 Z   Na   43.6693  -18.3754 #+
            101 Z   Na   34.5220  -20.5236 #+
BOND        95
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1 #Down
            8     8   7 1 #Up
            9     8   9 1
            10    9  10 1 #Down
            11    8  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    9  14 1
            16   16  15 1 #Up
            17   16  17 1
            18   17  18 1 #Down
            19   13  18 1 #Down
            20   16  19 1
            21   20  19 1
            22   20  21 1
            23   21  22 1
            24   17  22 1
            25   20  23 1 #Down
            26   24  23 1 #Up
            27   24  25 1
            28   25  26 1 #Down
            29   24  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   25  30 1
            34   32  31 1 #Up
            35   32  33 1
            36   33  34 1 #Down
            37   29  34 1 #Down
            38   32  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   33  38 1
            43    2  39 1 #Up
            44    6  40 1 #Up
            45   14  41 1 #Up
            46   22  42 1 #Up
            47   30  43 1 #Up
            48   38  44 1 #Up
            49    1  45 1 #Down
            50    3  46 1 #Down
            51   11  47 1 #Down
            52   19  48 1 #Down
            53   36  49 1 #Down
            54   35  50 1 #Down
            55   27  51 1 #Up
            56   49  52 1
            57   46  53 1
            58   53  54 2
            59   53  55 1
            60   53  56 2
            61   40  57 1
            62   57  58 1
            63   58  59 2
            64   58  60 2
            65   58  61 1
            66   44  62 1
            67   62  63 1
            68   63  64 2
            69   63  65 1
            70   63  66 2
            71   43  67 1
            72   42  68 1
            73   68  69 1
            74   69  70 2
            75   69  71 1
            76   69  72 2
            77   67  73 1
            78   67  74 2
            79   67  75 2
            80   15  76 1
            81   76  77 1
            82   76  78 2
            83   76  79 2
            84   51  80 1
            85   51  81 2
            86   47  82 2
            87   47  83 1
            88   48  84 1
            89   50  85 1
            90   84  86 1
            91   84  87 2
            92   84  88 2
            93   85  89 2
            94   85  90 2
            95   85  91 1

» Japanese version   » Back

KEGG   DRUG: Apixaban
Entry
D03213                      Drug                                   
Name
Apixaban (JAN/USAN/INN);
Eliquis (TN)
Product
ELIQUIS (A-S Medication Solutions), ELIQUIS (A-S Medication Solutions), ELIQUIS (A-S Medication Solutions), ELIQUIS (Aphena Pharma Solutions - Tennessee), ELIQUIS (Aphena Pharma Solutions - Tennessee), ELIQUIS (Bryant Ranch Prepack), ELIQUIS (Bryant Ranch Prepack), ELIQUIS (Cardinal Health 107), ELIQUIS (E.R. Squibb & Sons), ELIQUIS (Pharmasource Meds), ELIQUIS (Proficient Rx LP), ELIQUIS (REMEDYREPACK), ELIQUIS (RedPharm Drug)
  Generic
APIXABAN (Amneal Pharmaceuticals of New York LLC), APIXABAN (Indoco Remedies Limited), APIXABAN (Macleods Pharmaceuticals Limited)
Formula
C25H25N5O4
Exact mass
459.1907
Mol weight
459.50
Structure
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01662  Factor Xa inhibitor
  DG03320  Direct oral anticoagulant (DOAC)
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Transporter substrate
 DG01665  ABCB1 substrate
 DG01913  ABCG2 substrate
Remark
Therapeutic category: 3339
ATC code: B01AF02
Product: D03213<JP/US>
Efficacy
Anticoagulant, Antithrombotic, Factor Xa inhibitor
  Disease
Deep vein thrombosis [DS:H01723]
Target
F10a [CPD:C01065] [HSA:2159] [KO:K01314]
  Pathway
hsa04610  Complement and coagulation cascades
  Network
nt06514  Coagulation cascade
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Structure map
map07049  Antithrombosis agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AF Direct factor Xa inhibitors
     B01AF02 Apixaban
      D03213  Apixaban (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Blood Products and Modifiers
  Anticoagulants
   Factor Xa Inhibitors, Direct
    Apixaban
     D03213  Apixaban (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  33  Blood and body fluid agents
   333  Anticoagulants
    3339  Others
     D03213  Apixaban (JAN/USAN/INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01662  Factor Xa inhibitor
    D03213  Apixaban
   DG03320  Direct oral anticoagulant (DOAC)
    D03213  Apixaban
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D03213  Apixaban
  DG02925  CYP3A5 substrate
   D03213  Apixaban
 Transporter substrate
  DG01665  ABCB1 substrate
   D03213  Apixaban
  DG01913  ABCG2 substrate
   D03213  Apixaban
Drug classes [BR:br08332]
 Anticoagulant
  DG03320  Direct oral anticoagulant (DOAC)
   D03213  Apixaban
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    F10a
     D03213  Apixaban (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D03213
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D03213
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D03213
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D03213
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03213
 Drug transporters
  D03213
Other DBs
CAS: 503612-47-3
PubChem: 17397366
ChEBI: 72296
PDB-CCD: GG2[PDBj]
LigandBox: D03213
NIKKAJI: J2.566.952E
LinkDB
KCF data

ATOM        34
            1   C1x C    21.2579  -15.3879
            2   C1x C    21.2579  -16.7863
            3   C5x C    22.4689  -17.4855
            4   N1y N    23.6799  -16.7863
            5   C1x C    23.6799  -15.3879
            6   C1x C    22.4689  -14.6887
            7   C8y C    24.9097  -17.4965
            8   C8x C    24.9094  -18.8839
            9   C8x C    26.1203  -19.5833
            10  C8y C    27.3315  -18.8845
            11  C8x C    27.3318  -17.4971
            12  C8x C    26.1209  -16.7976
            13  N1y N    28.5492  -19.5878
            14  C1x C    28.5489  -20.9815
            15  C1x C    29.7597  -21.6809
            16  C8y C    30.9709  -20.9822
            17  C8y C    30.9714  -19.5886
            18  C5x C    29.7605  -18.8890
            19  O5x O    22.4689  -18.8838
            20  O5x O    29.7609  -17.4858
            21  C8y C    32.2962  -21.4131
            22  N5x N    33.1156  -20.2860
            23  N4y N    32.2968  -19.1583
            24  C8y C    32.7204  -17.8544
            25  C5a C    32.7279  -22.7430
            26  N1a N    34.1279  -22.7430
            27  O5a O    31.9130  -23.8647
            28  C8x C    34.1204  -17.8544
            29  C8x C    34.8204  -16.6420
            30  C8y C    34.1204  -15.4296
            31  C8x C    32.7204  -15.4296
            32  C8x C    32.0204  -16.6420
            33  O2a O    34.8256  -14.2088
            34  C1a C    36.2600  -14.2091
BOND        38
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   13  18 1
            21    3  19 2
            22   18  20 2
            23   16  21 1
            24   21  22 2
            25   22  23 1
            26   17  23 1
            27   23  24 1
            28   21  25 1
            29   25  26 1
            30   25  27 2
            31   24  28 1
            32   28  29 2
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   24  32 2
            37   30  33 1
            38   33  34 1

» Japanese version   » Back

KEGG   DRUG: Rivaroxaban
Entry
D07086                      Drug                                   
Name
Rivaroxaban (JAN/USAN/INN);
Xarelto (TN)
Product
XARELTO (A-S Medication Solutions), XARELTO (A-S Medication Solutions), XARELTO (A-S Medication Solutions), XARELTO (A-S Medication Solutions), XARELTO (Aphena Pharma Solutions - Tennessee), XARELTO (Cardinal Health 107), XARELTO (Janssen Pharmaceuticals)
  Generic
RIVAROXABAN (Alembic Pharmaceuticals Limited), RIVAROXABAN (Alembic Pharmaceuticals), RIVAROXABAN (Apotex Corp.), RIVAROXABAN (Ascend Laboratories), RIVAROXABAN (Aurobindo Pharma Limited), RIVAROXABAN (Camber Pharmaceuticals), RIVAROXABAN (Dr.Reddy's Laboratories), RIVAROXABAN (Lupin Pharmaceuticals), RIVAROXABAN (Macleods Pharmaceuticals Limited)
Formula
C19H18ClN3O5S
Exact mass
435.0656
Mol weight
435.88
Structure
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01662  Factor Xa inhibitor
  DG03320  Direct oral anticoagulant (DOAC)
Metabolizing enzyme substrate
 DG02954  CYP2J2 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Transporter substrate
 DG01665  ABCB1 substrate
 DG01913  ABCG2 substrate
Remark
Therapeutic category: 3339
ATC code: B01AF01
Product: D07086<JP/US>
Efficacy
Antithrombotic, Factor Xa inhibitor
Comment
Prophylaxis of venous thromboembolism
Target
F10a [CPD:C01065] [HSA:2159] [KO:K01314]
  Pathway
hsa04610  Complement and coagulation cascades
  Network
nt06514  Coagulation cascade
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2J2 [HSA:1573]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Structure map
map07049  Antithrombosis agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AF Direct factor Xa inhibitors
     B01AF01 Rivaroxaban
      D07086  Rivaroxaban (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Blood Products and Modifiers
  Anticoagulants
   Factor Xa Inhibitors, Direct
    Rivaroxaban
     D07086  Rivaroxaban (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  33  Blood and body fluid agents
   333  Anticoagulants
    3339  Others
     D07086  Rivaroxaban (JAN/USAN/INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01662  Factor Xa inhibitor
    D07086  Rivaroxaban
   DG03320  Direct oral anticoagulant (DOAC)
    D07086  Rivaroxaban
 Metabolizing enzyme substrate
  DG02954  CYP2J2 substrate
   D07086  Rivaroxaban
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D07086  Rivaroxaban
 Transporter substrate
  DG01665  ABCB1 substrate
   D07086  Rivaroxaban
  DG01913  ABCG2 substrate
   D07086  Rivaroxaban
Drug classes [BR:br08332]
 Anticoagulant
  DG03320  Direct oral anticoagulant (DOAC)
   D07086  Rivaroxaban
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    F10a
     D07086  Rivaroxaban (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D07086
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D07086
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D07086
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D07086
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07086
 Drug transporters
  D07086
Other DBs
CAS: 366789-02-8
PubChem: 51091428
ChEBI: 68579
PDB-CCD: RIV[PDBj]
LigandBox: D07086
NIKKAJI: J2.395.184C
LinkDB
KCF data

ATOM        29
            1   O2x O    18.3529  -15.4520
            2   C1x C    18.3529  -16.8479
            3   C5x C    19.5395  -17.5459
            4   N1y N    20.7958  -16.8479
            5   C1x C    20.7958  -15.4520
            6   C1x C    19.5395  -14.7541
            7   C8y C    21.9824  -17.5459
            8   C8x C    21.9824  -18.9418
            9   C8x C    23.2387  -19.6397
            10  C8y C    24.4253  -18.9418
            11  C8x C    24.4253  -17.5459
            12  C8x C    23.2387  -16.8479
            13  N1y N    25.6118  -19.6397
            14  O5x O    19.5395  -18.9418
            15  C1x C    26.0493  -20.9654
            16  C1y C    27.4451  -21.0290
            17  O7x O    27.8704  -19.6295
            18  C7x C    26.7374  -18.8141
            19  O6a O    26.7311  -17.4063
            20  C1b C    28.2675  -22.0802
            21  N1b N    29.6596  -22.1153
            22  C5a C    30.4027  -20.9007
            23  C8y C    31.8236  -20.9466
            24  O5a O    29.7142  -19.6963
            25  S2x S    32.9956  -21.6562
            26  C8y C    34.1000  -20.7785
            27  C8x C    33.6066  -19.4570
            28  C8x C    32.1973  -19.4479
            29  X   Cl   35.4112  -21.1422
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15    3  14 2
            16   13  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   18  19 2
            22   16  20 1 #Up
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   22  24 2
            27   23  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   23  28 2
            32   26  29 1

» Japanese version   » Back

KEGG   DRUG: Edoxaban tosilate hydrate
Entry
D09546                      Drug                                   
Name
Edoxaban tosilate hydrate (JAN);
Edoxaban tosylate monohydrate;
Lixiana (TN);
Savaysa (TN)
Product
SAVAYSA (Daiichi Sankyo)
Formula
C24H30ClN7O4S. C7H8O3S. H2O
Exact mass
737.2068
Mol weight
738.28
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01662  Factor Xa inhibitor
  DG03320  Direct oral anticoagulant (DOAC)
Transporter substrate
 DG01665  ABCB1 substrate
Remark
Therapeutic category: 3339
ATC code: B01AF03
Chemical structure group: DG01398
Product (DG01398): D09546<JP/US>
Efficacy
Antithrombotic, Factor Xa inhibitor
Target
F10a [CPD:C01065] [HSA:2159] [KO:K01314]
  Pathway
hsa04610  Complement and coagulation cascades
  Network
nt06514  Coagulation cascade
Metabolism
Transporter: ABCB1 [HSA:5243]
Interaction
Structure map
map07049  Antithrombosis agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AF Direct factor Xa inhibitors
     B01AF03 Edoxaban
      D09546  Edoxaban tosilate hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
 Blood Products and Modifiers
  Anticoagulants
   Factor Xa Inhibitors, Direct
    Edoxaban
     D09546  Edoxaban tosilate hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  33  Blood and body fluid agents
   333  Anticoagulants
    3339  Others
     D09546  Edoxaban tosilate hydrate (JAN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01662  Factor Xa inhibitor
    DG01398  Edoxaban
     D09546  Edoxaban tosilate hydrate
   DG03320  Direct oral anticoagulant (DOAC)
    DG01398  Edoxaban
     D09546  Edoxaban tosilate hydrate
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01398  Edoxaban
    D09546  Edoxaban tosilate hydrate
Drug classes [BR:br08332]
 Anticoagulant
  DG03320  Direct oral anticoagulant (DOAC)
   D09546  Edoxaban tosilate hydrate
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    F10a
     D09546  Edoxaban tosilate hydrate (JAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09546
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09546
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09546
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09546
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D09546
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01662  Factor Xa inhibitor
    DG01398  Edoxaban
   DG03320  Direct oral anticoagulant (DOAC)
    DG01398  Edoxaban
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01398  Edoxaban
Other DBs
CAS: 1229194-11-9
PubChem: 96026226
ChEBI: 85974
LigandBox: D09546
LinkDB
KCF data

ATOM        49
            1   C1x C    21.8561  -21.8613
            2   C1y C    21.8561  -23.2674
            3   C1y C    23.0738  -23.9705
            4   C1x C    24.2916  -23.2674
            5   C1x C    24.2916  -21.8613
            6   C1y C    23.0738  -21.1583
            7   C5a C    23.0738  -19.7524
            8   O5a O    21.8393  -19.0394
            9   N1c N    24.2746  -19.0590
            10  C1a C    25.4670  -19.7473
            11  C1a C    24.2748  -17.6433
            12  N1b N    23.0738  -25.3764
            13  C5a C    24.2746  -26.0698
            14  C5a C    25.4670  -25.3814
            15  O5a O    24.2748  -27.4855
            16  N1b N    26.6636  -26.0724
            17  O5a O    25.4671  -23.9707
            18  C8y C    27.8581  -25.3827
            19  N5x N    29.0536  -26.0730
            20  C8x C    30.2714  -25.3701
            21  C8y C    30.2715  -23.9640
            22  C8x C    29.0760  -23.2737
            23  C8x C    27.8582  -23.9766
            24  X   Cl   31.5022  -23.2534
            25  N1b N    20.6384  -23.9705
            26  C5a C    19.4377  -23.2771
            27  C8y C    18.2451  -23.9656
            28  O5a O    19.4376  -21.8616
            29  N5x N    16.9838  -23.4037
            30  C8y C    16.0597  -24.4299
            31  C8y C    16.7499  -25.6259
            32  S2x S    18.1007  -25.3388
            33  C1x C    14.6535  -24.4297
            34  C1x C    13.9503  -25.6474
            35  N1y N    14.6407  -26.8434
            36  C1x C    16.0468  -26.8435
            37  C1a C    13.9271  -28.0795
            38  C8x C    35.0736  -23.9002
            39  C8x C    35.0736  -25.3063
            40  C8y C    36.2912  -26.0093
            41  C8x C    37.5090  -25.3063
            42  C8x C    37.5090  -23.9002
            43  C8y C    36.2912  -23.1971
            44  C1a C    36.2912  -27.4153
            45  S4a S    36.2912  -21.7912
            46  O1d O    37.6974  -21.7912
            47  O1d O    34.8851  -21.7912
            48  O1d O    36.2912  -20.3851
            49  O0  O    36.6906  -17.5727
BOND        51
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1 #Up
            8     7   8 2
            9     7   9 1
            10    9  10 1
            11    9  11 1
            12    3  12 1 #Down
            13   12  13 1
            14   13  14 1
            15   13  15 2
            16   14  16 1
            17   14  17 2
            18   16  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   18  23 1
            25   21  24 1
            26    2  25 1 #Down
            27   25  26 1
            28   26  27 1
            29   26  28 2
            30   27  29 2
            31   29  30 1
            32   30  31 2
            33   31  32 1
            34   27  32 1
            35   30  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   31  36 1
            40   35  37 1
            41   38  39 2
            42   39  40 1
            43   40  41 2
            44   41  42 1
            45   42  43 2
            46   38  43 1
            47   40  44 1
            48   43  45 1
            49   45  46 2
            50   45  47 2
            51   45  48 1

» Japanese version   » Back

KEGG   DRUG: Garadacimab
Entry
D12613                      Drug                                   
Name
Garadacimab (INN);
Garadacimab (genetical recombination) (JAN);
Andembry (TN)
Product
ANDEMBRY (CSL)
Formula
C6470H10004N1724O2022S42
Exact mass
145548.1256
Mol weight
145637.80
Sequence
(Heavy chain)
XVQLLESGGG LVQPGGSLRL SCAASGFTFS KYIMQWVRQA PGKGLEWVSG IDIPTKGTVY
ADSVKGRFTI SRDNSKNTLY LQMNSLRAED TAVYYCARAL PRSGYLISPH YYYYALDVWG
QGTTVTVSSA STKGPSVFPL APCSRSTSES TAALGCLVKD YFPEPVTVSW NSGALTSGVH
TFPAVLQSSG LYSLSSVVTV PSSSLGTKTY TCNVDHKPSN TKVDKRVESK YGPPCPPCPA
PEFLGGPSVF LFPPKPKDTL MISRTPEVTC VVVDVSQEDP EVQFNWYVDG VEVHNAKTKP
REEQFNSTYR VVSVLTVLHQ DWLNGKEYKC KVSNKGLPSS IEKTISKAKG QPREPQVYTL
PPSQEEMTKN QVSLTCLVKG FYPSDIAVEW ESNGQPENNY KTTPPVLDSD GSFFLYSRLT
VDKSRWQEGN VFSCSVMHEA LHNHYTQKSL SLSLG
(Light chain)
QSVLTQPPSA SGTPGQRVTI SCSGSSSNIG RNYVYWYQQL PGTAPKLLIY SNNQRPSGVP
DRFSGSKSGT SASLAISGLR SEDEADYYCA AWDASLRGVF GGGTKLTVLG QPKAAPSVTL
FPPSSEELQA NKATLVCLIS DFYPGAVTVA WKADSSPVKA GVETTTPSKQ SNNKYAASSY
LSLTPEQWKS HRSYSCQVTH EGSTVEKTVA PTECS
(Disulfide bridge: H22-H96, H143-L214, H156-H212, H235-H'235, H238-H'238, H270-H330, H376-H434, H'22-H'96, H'143-L'214, H'156-H'212, H'270-H'330, H'376-H'434, L22-L89, L137-L196, L'22-L'89, L'137-L'196)
  Type
Peptide
Remark
Therapeutic category: 4490
ATC code: B06AC07
Product: D12613<JP/US>
Efficacy
Bleeding suppressant, Anti-F12a antibody
  Disease
Hereditary angioedema [DS:H01006]
  Type
Monoclonal antibody
Target
F12a [CPD:C03379] [HSA:2161] [KO:K01328]
  Pathway
hsa04610  Complement and coagulation cascades
  Network
nt06514  Coagulation cascade
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B06 OTHER HEMATOLOGICAL AGENTS
   B06A OTHER HEMATOLOGICAL AGENTS
    B06AC Drugs used in hereditary angioedema
     B06AC07 Garadacimab
      D12613  Garadacimab (INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D12613  Garadacimab (INN); Garadacimab (genetical recombination) (JAN)
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    F12a
     D12613  Garadacimab (INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12613
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D12613
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D12613
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12613
Other DBs
CAS: 2162134-62-3
PubChem: 497621026
LinkDB

» Japanese version   » Back

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