KEGG   DRUG: Ecallantide
Entry
D03931                      Drug                                   
Name
Ecallantide (USAN/INN);
Ecallantide (genetical recombination) (JAN);
Kalbitor (TN)
Product
KALBITOR (Takeda Pharmaceuticals America)
Formula
C305H442N88O91S8
Exact mass
7049.0430
Mol weight
7053.85
Structure
Sequence
EAMHSFCAFK ADDGPCRAAH PRWFFNIFTR QCEEFIYGGC EGNQNRFESL EECKKMCTRD
(Disulfide bridge: 7-57, 16-40, 32-53)
  Type
Peptide
Remark
ATC code: B06AC03
Product: D03931<US>
Efficacy
Plasma kallikrein inhibitor
  Disease
Hereditary angioedema [DS:H01006]
  Type
Modified peptide
Comment
Treatment of hereditary angioedema, Reduction of blood loss during cardiothoracic surgery [plasma kallikrein inhibitor]
Target
KLKB1 [HSA:3818] [KO:K01324]
  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
     B06AC03 Ecallantide
      D03931  Ecallantide (USAN/INN) <US>
USP drug classification [BR:br08302]
 Immunological Agents
  Angioedema Agents
   Kallikrein Inhibitors
    Ecallantide
     D03931  Ecallantide (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    KLKB1
     D03931  Ecallantide (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D03931
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D03931
Other DBs
CAS: 460738-38-9
PubChem: 47205919
LinkDB

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KEGG   DRUG: Lanadelumab
Entry
D11094                      Drug                                   
Name
Lanadelumab (USAN);
Lanadelumab (genetical recombination) (JAN);
Lanadelumab-flyo;
Takhzyro (TN)
Product
TAKHZYRO (Takeda Pharmaceuticals America)
Formula
C6468H10016N1728O2012S48
Exact mass
145624.1150
Mol weight
145714.32
Sequence
(Heavy chain)
EVQLLESGGG LVQPGGSLRL SCAASGFTFS HYIMMWVRQA PGKGLEWVSG IYSSGGITVY
ADSVKGRFTI SRDNSKNTLY LQMNSLRAED TAVYYCAYRR IGVPRRDEFD IWGQGTMVTV
SSASTKGPSV FPLAPSSKST SGGTAALGCL VKDYFPEPVT VSWNSGALTS GVHTFPAVLQ
SSGLYSLSSV VTVPSSSLGT QTYICNVNHK PSNTKVDKRV EPKSCDKTHT CPPCPAPELL
GGPSVFLFPP KPKDTLMISR TPEVTCVVVD VSHEDPEVKF NWYVDGVEVH NAKTKPREEQ
YNSTYRVVSV LTVLHQDWLN GKEYKCKVSN KALPAPIEKT ISKAKGQPRE PQVYTLPPSR
EEMTKNQVSL TCLVKGFYPS DIAVEWESNG QPENNYKTTP PVLDSDGSFF LYSKLTVDKS
RWQQGNVFSC SVMHEALHNH YTQKSLSLSP G
(Light chain)
DIQMTQSPST LSASVGDRVT ITCRASQSIS SWLAWYQQKP GKAPKLLIYK ASTLESGVPS
RFSGSGSGTE FTLTISSLQP DDFATYYCQQ YNTYWTFGQG TKVEIKRTVA APSVFIFPPS
DEQLKSGTAS VVCLLNNFYP REAKVQWKVD NALQSGNSQE SVTEQDSKDS TYSLSSTLTL
SKADYEKHKV YACEVTHQGL SSPVTKSFNR GEC
(Disulfide bridge: H22-H96, H149-H205, H225-L213, H231-H'231, H234-H'234, H266-H326, H372-H430, H'22-H'96, H'149-H'205, H'225-L'213, H'266-H'326, H'372-H'430, L23-L88, L133-L193, L'23-L'88, L'133-L'193)
  Type
Peptide
Remark
Therapeutic category: 4490
ATC code: B06AC05
Product: D11094<JP/US>
Efficacy
Immunomodulator, Plasma kallikrein inhibitor
  Disease
Hereditary angioedema [DS:H01006]
  Type
Monoclonal antibody
Comment
Prevention of angioedema in patients with hereditary angioedema
Target
KLKB1 [HSA:3818] [KO:K01324]
  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
     B06AC05 Lanadelumab
      D11094  Lanadelumab (USAN) <JP/US>
USP drug classification [BR:br08302]
 Immunological Agents
  Angioedema Agents
   Kallikrein Inhibitors
    Lanadelumab
     D11094  Lanadelumab (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D11094  Lanadelumab (USAN); Lanadelumab (genetical recombination) (JAN)
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    KLKB1
     D11094  Lanadelumab (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11094
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11094
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11094
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11094
Other DBs
CAS: 1426055-14-2
PubChem: 376219019
LinkDB

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KEGG   DRUG: Berotralstat hydrochloride
Entry
D11674                      Drug                                   
Name
Berotralstat hydrochloride (JAN/USAN);
Orladeyo (TN)
Product
ORLADEYO (BioCryst Pharmaceuticals)
Formula
C30H26F4N6O. 2HCl
Exact mass
634.1638
Mol weight
635.48
Structure
Class
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
Transporter substrate
 DG01665  ABCB1 substrate
 DG01913  ABCG2 substrate
Remark
Therapeutic category: 4490
ATC code: B06AC06
Chemical structure group: DG03079
Product (DG03079): D11674<JP/US>
Efficacy
Antiangioedema, Plasma kallikrein inhibitor
  Disease
Hereditary angioedema [DS:H01006]
Comment
Prevention of angioedema attacks in patients with Hereditary angioedema (HAE)
Target
KLKB1 [HSA:3818] [KO:K01324]
  Pathway
hsa04610  Complement and coagulation cascades
  Network
nt06514  Coagulation cascade
Metabolism
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
CYP inhibition: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
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
     B06AC06 Berotralstat
      D11674  Berotralstat hydrochloride (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Immunological Agents
  Angioedema Agents
   Kallikrein Inhibitors
    Berotralstat
     D11674  Berotralstat hydrochloride (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D11674  Berotralstat hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG03079  Berotralstat
    D11674  Berotralstat hydrochloride
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG03079  Berotralstat
     D11674  Berotralstat hydrochloride
 Transporter substrate
  DG01665  ABCB1 substrate
   DG03079  Berotralstat
    D11674  Berotralstat hydrochloride
  DG01913  ABCG2 substrate
   DG03079  Berotralstat
    D11674  Berotralstat hydrochloride
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    KLKB1
     D11674  Berotralstat hydrochloride (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11674
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11674
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11674
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11674
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11674
 Drug transporters
  D11674
Drug groups [BR:br08330]
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG03079  Berotralstat
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG03079  Berotralstat
 Transporter substrate
  DG01665  ABCB1 substrate
   DG03079  Berotralstat
  DG01913  ABCG2 substrate
   DG03079  Berotralstat
Other DBs
CAS: 1809010-52-3
PubChem: 405226541
LinkDB
KCF data

ATOM        43
            1   C8x C    14.2450  -16.3398
            2   C8y C    13.4071  -17.4571
            3   N5x N    14.1752  -18.5744
            4   N4y N    15.5717  -18.2252
            5   C8y C    15.5717  -16.8286
            6   C5a C    16.7588  -16.1304
            7   N1b N    17.9459  -16.8286
            8   O5a O    16.7588  -14.7338
            9   C8y C    19.1330  -16.1304
            10  C8x C    20.3899  -16.8286
            11  C8y C    21.6468  -16.1304
            12  C8x C    21.6468  -14.7338
            13  C8x C    20.4597  -14.0355
            14  C8y C    19.1330  -14.7338
            15  X   F    17.9459  -14.0355
            16  C1c C    22.8339  -16.8286
            17  C8y C    24.0210  -16.1304
            18  C8x C    25.2081  -16.8286
            19  C8x C    26.4650  -16.1304
            20  C8x C    26.4650  -14.7338
            21  C8y C    25.2779  -14.0355
            22  C8x C    24.0210  -14.7338
            23  C3b C    25.2779  -12.6389
            24  N3a N    25.2779  -11.2424
            25  N1b N    22.8339  -18.2252
            26  C1b C    24.0210  -18.9235
            27  C8y C    16.7588  -18.9235
            28  C8x C    16.7588  -20.3201
            29  C8x C    18.0157  -21.0882
            30  C8x C    19.2028  -20.3201
            31  C8y C    19.2028  -18.9235
            32  C8x C    18.0157  -18.2252
            33  C1b C    20.4597  -18.2252
            34  N1a N    21.6468  -18.9235
            35  C1y C    25.2081  -18.2252
            36  C1x C    26.6046  -18.2252
            37  C1x C    25.9063  -17.0381
            38  C1d C    12.0105  -17.4571
            39  X   F    10.6139  -17.4571
            40  X   F    12.0105  -16.0605
            41  X   F    12.0105  -18.8537
            42  X   Cl   22.2600  -21.2800
            43  X   Cl   25.0600  -21.2800
BOND        45
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     6   7 1
            7     6   5 1
            8     6   8 2
            9     7   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   14  15 1
            17   11  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   21  23 1
            26   23  24 3
            27   16  25 1 #Up
            28   25  26 1
            29    4  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   27  32 1
            36   31  33 1
            37   33  34 1
            38   26  35 1
            39   35  36 1
            40   36  37 1
            41   37  35 1
            42    2  38 1
            43   38  39 1
            44   38  40 1
            45   38  41 1

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