KEGG   DRUG: D03728Help
Entry
D03728                      Drug                                   

Name
Napsagatran (USAN)
Formula
C26H34N6O6S. H2O
Exact mass
576.2366
Mol weight
576.665
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antithrombotic
Target
thrombin inhibitor [HSA:2147] [KO:K01313]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04610  Complement and coagulation cascades
hsa04810  Regulation of actin cytoskeleton  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   thrombin
    Napsagatran
     D03728  Napsagatran (USAN)
BRITE hierarchy
Other DBs
CAS: 
159668-20-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        40
            1   C1y C    38.8917  -20.7435
            2   C1x C    38.8917  -22.1449
            3   C1x C    40.0829  -22.8457
            4   C1x C    41.3442  -22.1449
            5   N1y N    41.3442  -20.7435
            6   C1x C    40.0829  -20.0427
            7   C2c C    42.5355  -20.0427
            8   N1a N    43.7267  -20.7435
            9   N2a N    42.5355  -18.6413
            10  C1b C    37.7004  -20.0427
            11  N1b N    36.4391  -20.7435
            12  C5a C    35.2479  -20.0427
            13  C1b C    34.0566  -20.7435
            14  C1c C    32.7953  -20.0427
            15  O5a O    35.2479  -18.6413
            16  N1b N    31.6041  -20.7435
            17  S4a S    30.3428  -20.0427
            18  C8y C    29.1515  -20.8135
            19  C8x C    27.9603  -20.1128
            20  C8y C    26.7690  -20.8135
            21  C8y C    26.7690  -22.2150
            22  C8x C    27.9603  -22.9157
            23  C8x C    29.1515  -22.2150
            24  C8x C    25.5077  -20.1128
            25  C8x C    24.3165  -20.8135
            26  C8x C    24.3165  -22.2150
            27  C8x C    25.5077  -22.9157
            28  C5a C    32.7953  -18.6413
            29  O5a O    33.9866  -17.9405
            30  N1c N    31.6041  -17.9405
            31  C1b C    31.6041  -16.5391
            32  C1y C    30.2026  -17.9405
            33  C1x C    29.0114  -17.2398
            34  C1x C    29.0114  -18.6413
            35  C6a C    30.3904  -15.8384
            36  O6a O    30.3904  -14.4369
            37  O6a O    29.1937  -16.5295
            38  O3c O    31.5564  -19.3420
            39  O3c O    29.1291  -19.3420
            40  O0  O    49.2100  -20.7200
BOND        42
            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     5   7 1
            8     7   8 1
            9     7   9 2
            10    1  10 1 #Up
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   12  15 2
            16   14  16 1
            17   16  17 1
            18   17  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   20  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   21  27 1
            30   14  28 1 #Down
            31   28  29 2
            32   28  30 1
            33   30  31 1
            34   30  32 1
            35   33  34 1
            36   34  32 1
            37   33  32 1
            38   31  35 1
            39   35  36 1
            40   35  37 2
            41   17  38 2
            42   17  39 2

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