KEGG   DRUG: NapsagatranHelp
Entry
D03728                      Drug                                   

Name
Napsagatran (USAN)
Formula
C26H34N6O6S. H2O
Exact mass
576.2366
Mol weight
576.665
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01511  Thrombin inhibitor
Activity
Antithrombotic
Target
thrombin [HSA:2147] [KO:K01313]
  Pathway
Neuroactive ligand-receptor interaction
Complement and coagulation cascades
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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