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
Remark
Drug group: 
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)
     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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