KEGG   DRUG: D09867Help
Entry
D09867                      Drug                                   

Name
Atopaxar hydrobromide (USAN)
Formula
C29H38FN3O5. HBr
Exact mass
607.2057
Mol weight
608.5395
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of cardiovascular disorders
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) [HSA:2149] [KO:K03914]
     Atopaxar
      D09867  Atopaxar hydrobromide (USAN)
BRITE hierarchy
Other DBs
CAS: 
474550-69-1
PubChem: 
LigandBox: 
KCF data Show

ATOM        39
            1   C8y C    23.0300  -26.6700
            2   C8y C    23.0300  -28.0700
            3   C8x C    24.2200  -28.7700
            4   C8y C    25.4800  -28.0700
            5   C8y C    25.4800  -26.6700
            6   C8y C    24.2200  -25.9700
            7   C1x C    26.8100  -28.4900
            8   N1y N    27.6500  -27.3700
            9   C2y C    26.8100  -26.1800
            10  C1b C    28.9800  -27.3700
            11  X   F    24.2200  -24.5000
            12  O2a O    21.7700  -25.9700
            13  C1b C    20.5800  -26.6000
            14  C1a C    19.3900  -25.9700
            15  O2a O    21.7700  -28.7700
            16  C1b C    20.5800  -28.0700
            17  C1a C    19.3900  -28.7700
            18  N2a N    27.2300  -24.8500
            19  C5a C    29.6800  -28.5600
            20  C8y C    31.0800  -28.5600
            21  O5a O    28.9800  -29.7500
            22  C8x C    31.7800  -29.7500
            23  C8y C    33.1800  -29.7500
            24  C8y C    33.9500  -28.5600
            25  C8y C    33.2500  -27.3700
            26  C8x C    31.7800  -27.3700
            27  N1y N    33.8800  -30.9400
            28  C1x C    33.2500  -32.1300
            29  C1x C    33.9500  -33.3900
            30  O2x O    35.3500  -33.3900
            31  C1x C    36.0500  -32.2000
            32  C1x C    35.2800  -30.9400
            33  C1d C    33.9500  -26.1100
            34  O2a O    35.3500  -28.5600
            35  C1a C    36.0500  -29.7500
            36  C1a C    35.3500  -26.1100
            37  C1a C    33.2500  -24.9200
            38  C1a C    34.6500  -24.9200
            39  X   Br   24.9200  -32.2000
BOND        41
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12    6  11 1
            13    1  12 1
            14   12  13 1
            15   13  14 1
            16    2  15 1
            17   15  16 1
            18   16  17 1
            19    9  18 2
            20   10  19 1
            21   19  20 1
            22   19  21 2
            23   20  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   20  26 2
            29   23  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   27  32 1
            36   25  33 1
            37   24  34 1
            38   34  35 1
            39   33  36 1
            40   33  37 1
            41   33  38 1

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