KEGG   DRUG: D09765Help
Entry
D09765                      Drug                                   

Name
Vorapaxar (USAN/INN)
Formula
C29H33FN2O4
Exact mass
492.2424
Mol weight
492.5817
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Thrombosis
Target
coagulation factor II (thrombin) receptor (PAR1) antagonist [HSA:2149] [KO:K03914]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04610  Complement and coagulation cascades  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thrombin
    coagulation factor II (thrombin) receptor (PAR1)
     Vorapaxar
      D09765  Vorapaxar (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
618385-01-6
PubChem: 
PDB-CCD: 
LigandBox: 
KCF data Show

ATOM        36
            1   C1y C    24.9200  -18.9000
            2   C1y C    24.9200  -20.3000
            3   C1x C    26.1100  -21.0000
            4   C1y C    27.3700  -20.3000
            5   C1y C    27.3700  -18.9000
            6   C1y C    26.1100  -18.2000
            7   C1x C    28.5600  -21.0000
            8   C1y C    29.7500  -20.3000
            9   C1x C    29.7500  -18.9000
            10  C1x C    28.5600  -18.2000
            11  C2b C    26.1100  -16.8000
            12  N1b N    30.9400  -21.0000
            13  C7a C    32.1300  -20.3000
            14  O7a O    33.3200  -21.0000
            15  O6a O    32.1300  -18.9000
            16  C1b C    34.5100  -20.3000
            17  C1a C    35.7000  -21.0000
            18  C2b C    24.9200  -16.1000
            19  C8y C    24.9200  -14.7000
            20  C8x C    26.1100  -14.0000
            21  C8x C    26.1100  -12.6000
            22  C8y C    24.9200  -11.9000
            23  C8x C    23.7300  -12.6000
            24  N5x N    23.7300  -14.0000
            25  C8y C    24.9200  -10.5000
            26  C8x C    26.1100   -9.8000
            27  C8y C    26.1100   -8.4000
            28  C8x C    24.9200   -7.7000
            29  C8x C    23.7300   -8.4000
            30  C8x C    23.7300   -9.8000
            31  X   F    27.3000   -7.7000
            32  C1y C    23.5885  -18.4674
            33  O7x O    22.7656  -19.6000
            34  C7x C    23.5885  -20.7326
            35  C1a C    23.1597  -17.1478
            36  O6a O    23.1597  -22.0522
BOND        40
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    6  11 1 #Up
            13    8  12 1 #Up
            14   12  13 1
            15   13  14 1
            16   13  15 2
            17   14  16 1
            18   16  17 1
            19   11  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1
            34   27  31 1
            35    1  32 1
            36   32  33 1
            37   33  34 1
            38    2  34 1
            39   32  35 1 #Down
            40   34  36 2

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