KEGG   DRUG: D01090Help
Entry
D01090                      Drug                                   

Name
Pamicogrel (JAN/INN)
Formula
C25H24N2O4S
Exact mass
448.1457
Mol weight
448.5341
Structure
Mol fileKCF fileDB searchJmolKegDraw
Target
cyclooxygenase-1 (COX-1) inhibitor [HSA:5742] [KO:K00509];
cyclooxygenase-2 (COX-2) inhibitor [HSA:5743] [KO:K11987]
Structure map
1,2-Diphenyl substitution family
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   cyclooxygenase-1 (COX-1)
    Pamicogrel
     D01090  Pamicogrel (JAN/INN)
   cyclooxygenase-2 (COX-2)
    Pamicogrel
     D01090  Pamicogrel (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
101001-34-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        32
            1   C8x C    19.9258  -19.0899
            2   C8y C    19.9258  -17.6920
            3   C8x C    21.1373  -16.9931
            4   C8x C    22.3488  -17.6920
            5   C8y C    22.3488  -19.0899
            6   C8x C    21.1373  -19.7888
            7   C8y C    19.9258  -23.5164
            8   C8x C    19.9258  -22.1186
            9   C8x C    21.1373  -21.4196
            10  C8y C    22.3488  -22.1186
            11  C8x C    22.3488  -23.5164
            12  C8x C    21.1373  -24.2153
            13  C8y C    25.6104  -20.5809
            14  C8y C    27.0083  -20.5809
            15  N4y N    27.8470  -19.4626
            16  C8x C    29.1983  -19.8820
            17  C8x C    29.1983  -21.2798
            18  C8x C    27.8470  -21.6992
            19  S2x S    24.8183  -21.7458
            20  C8y C    23.4671  -21.2798
            21  C8y C    23.4671  -19.8820
            22  N5x N    24.8183  -19.4626
            23  O2a O    18.7144  -24.2153
            24  C1a C    17.5028  -23.5164
            25  O2a O    18.7144  -16.9931
            26  C1a C    17.5028  -17.6920
            27  C1b C    27.8470  -18.0648
            28  C7a C    29.0585  -17.3658
            29  O6a O    29.0585  -15.9680
            30  O7a O    30.2700  -18.0648
            31  C1b C    31.4814  -17.3193
            32  C1a C    32.6930  -18.0182
BOND        35
            1    14  15 1
            2    15  16 1
            3    16  17 2
            4    17  18 1
            5    18  14 2
            6     5   6 2
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   13  19 1
            11   19  20 1
            12   20  21 2
            13   21  22 1
            14   22  13 2
            15   20  10 1
            16   21   5 1
            17   10  11 1
            18    7  23 1
            19   11  12 2
            20   23  24 1
            21   12   7 1
            22    2  25 1
            23    6   1 1
            24   25  26 1
            25   15  27 1
            26   13  14 1
            27   27  28 1
            28    1   2 2
            29   28  29 2
            30    2   3 1
            31   28  30 1
            32    3   4 2
            33   30  31 1
            34    4   5 1
            35   31  32 1

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