KEGG   DRUG: ArgatrobanHelp
Entry
D00181                      Drug                                   

Name
Argatroban (USAN);
Argatroban hydrate (JP17);
Novastan (TN)
Product
  Generic
Formula
C23H36N6O5S. H2O
Exact mass
526.2574
Mol weight
526.6494
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01511  Thrombin inhibitor
 DG01950  Antithrombotic agent
  DG01511  Thrombin inhibitor
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Anticoagulant, Thrombin inhibitor
Comment
Direct thrombin inhibitor
Target
F2 [HSA:2147] [KO:K01313]
  Pathway
Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Regulation of actin cytoskeleton
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
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 (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D00181  Argatroban (USAN); Argatroban hydrate (JP17)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   thrombin
    Argatroban
     D00181  Argatroban (USAN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00181  Argatroban hydrate
BRITE hierarchy
Other DBs
CAS: 
141396-28-3
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

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

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