KEGG   DRUG: D09766Help
Entry
D09766                      Drug                                   

Name
Vorapaxar sulfate (JAN/USAN)
Product
Formula
C29H33FN2O4. H2SO4
Exact mass
590.2098
Mol weight
590.6602
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
      D09766  Vorapaxar sulfate (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
705260-08-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        41
            1   C1y C    20.7200  -24.1500
            2   C1y C    20.7200  -25.5500
            3   C1x C    21.9100  -26.2500
            4   C1y C    23.1700  -25.5500
            5   C1y C    23.1700  -24.1500
            6   C1y C    21.9100  -23.3800
            7   C1x C    24.3600  -26.2500
            8   C1y C    25.5500  -25.5500
            9   C1x C    25.5500  -24.1500
            10  C1x C    24.3600  -23.3800
            11  C2b C    21.9100  -21.9800
            12  N1b N    26.8100  -26.2500
            13  C7a C    28.0000  -25.5500
            14  O7a O    29.1900  -26.2500
            15  O6a O    28.0000  -24.1500
            16  C1b C    30.3800  -25.5500
            17  C1a C    31.5700  -26.2500
            18  C2b C    20.7200  -21.2800
            19  C8y C    20.7200  -19.8800
            20  C8x C    21.9100  -19.1800
            21  C8x C    21.9100  -17.7800
            22  C8y C    20.7200  -17.0800
            23  C8x C    19.5300  -17.7800
            24  N5x N    19.5300  -19.1800
            25  C8y C    20.7200  -15.6800
            26  C8x C    21.9100  -14.9800
            27  C8y C    21.9100  -13.5800
            28  C8x C    20.7200  -12.8800
            29  C8x C    19.5300  -13.5800
            30  C8x C    19.5300  -14.9800
            31  X   F    23.1000  -12.8800
            32  C1y C    19.3900  -23.6600
            33  O7x O    18.5500  -24.8500
            34  C7x C    19.3900  -25.9700
            35  C1a C    18.9700  -22.3300
            36  O6a O    18.9700  -27.3000
            37  S4a S    30.2400  -19.0400
            38  O1d O    31.6400  -19.0400
            39  O1d O    28.8400  -19.0400
            40  O1d O    30.2400  -17.6400
            41  O1d O    30.2400  -20.4400
BOND        44
            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
            41   37  38 1
            42   37  39 1
            43   37  40 2
            44   37  41 2

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