KEGG   DRUG: Gabexate mesilate
Entry
D01672                      Drug                                   

Name
Gabexate mesilate (JP17);
Gabexate mesylate;
Arodate (TN)
Formula
C16H23N3O4. CH4SO3
Exact mass
417.157
Mol weight
417.4772
Structure
Simcomp
Remark
Therapeutic category: 3999
Chemical structure group: DG01400
Product (DG01400): D01672<JP>
Efficacy
Anticoagulant, Plasma kallikrein inhibitor
Target
KLKB1 [HSA:3818] [KO:K01324]
KLK [HSA:3816 3817] [KO:K01325]
  Pathway
hsa04610  Complement and coagulation cascades
Interaction
Structure map
map07049  Antithrombosis agents
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D01672  Gabexate mesilate (JP17)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Serine peptidases
    KLKB1
     D01672  Gabexate mesilate (JP17) <JP>
    KLK
     D01672  Gabexate mesilate (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01672  Gabexate mesilate
Other DBs
CAS: 56974-61-9
PubChem: 7848735
ChEBI: 31641
ChEMBL: CHEMBL1398351
LigandBox: D01672
NIKKAJI: J260.413B
LinkDB
KCF data

ATOM        28
            1   C8y C    26.0098  -16.3177
            2   O7a O    27.2208  -17.0188
            3   C7a C    28.4319  -16.3177
            4   C1b C    29.6429  -17.0188
            5   C1b C    30.8540  -16.3177
            6   C1b C    32.0650  -17.0188
            7   C1b C    33.2761  -16.3177
            8   C1b C    34.4871  -17.0188
            9   N1b N    35.6982  -16.3177
            10  C2c C    36.9092  -17.0188
            11  N1a N    38.1203  -16.3177
            12  N2a N    36.9092  -18.4211
            13  O6a O    28.4319  -14.9154
            14  C8x C    26.0115  -14.9183
            15  C8x C    24.8004  -14.2172
            16  C8y C    23.5877  -14.9154
            17  C8x C    23.5860  -16.3148
            18  C8x C    24.7970  -17.0159
            19  C7a C    22.3766  -14.2071
            20  O7a O    21.1656  -14.9013
            21  C1b C    19.9545  -14.2002
            22  C1a C    18.7435  -14.8942
            23  O6a O    22.3827  -12.8049
            24  S4a S    20.3771  -18.1493
            25  O1d O    20.3842  -16.7470
            26  O1d O    20.3842  -19.5516
            27  C1a C    18.9748  -18.1493
            28  O1d O    21.7794  -18.1493
BOND        27
            1     6   7 1
            2     7   8 1
            3     3   4 1
            4     1  14 2
            5    14  15 1
            6    15  16 2
            7    16  17 1
            8    17  18 2
            9    18   1 1
            10    8   9 1
            11   16  19 1
            12    1   2 1
            13   19  20 1
            14    9  10 1
            15   20  21 1
            16    4   5 1
            17   21  22 1
            18   10  11 1
            19   19  23 2
            20   10  12 2
            21    5   6 1
            22    3  13 2
            23    2   3 1
            24   24  25 2
            25   24  26 2
            26   24  27 1
            27   24  28 1

» Japanese version   » Back

DBGET integrated database retrieval system