KEGG   DRUG: D09607Help
Entry
D09607                      Drug                                   

Name
Elinogrel (USAN/INN)
Formula
C20H15ClFN5O5S2
Exact mass
523.0187
Mol weight
523.945
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antithrombotic
Remark
Drug group: 
Target
P2Y12 receptor antagonist [HSA:64805] [KO:K04298]
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Purine / pyrimidine
    P2Y12 receptor
     Elinogrel
      D09607  Elinogrel (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
936500-94-6
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8y C    10.1500  -29.5400
            2   C8y C    10.1500  -30.9400
            3   C8x C    11.3400  -31.6400
            4   C8y C    12.6000  -30.9400
            5   C8y C    12.6000  -29.5400
            6   C8x C    11.3400  -28.8400
            7   N4x N    13.7900  -31.6400
            8   C8y C    14.9800  -30.9400
            9   N4y N    14.9800  -29.5400
            10  C8y C    13.7900  -28.8400
            11  C8y C    16.1700  -28.8400
            12  O5x O    13.7900  -27.4400
            13  O5x O    16.1700  -31.6400
            14  X   F     8.9600  -28.8400
            15  N1b N     8.9600  -31.6400
            16  C1a C     7.7700  -30.9400
            17  C8x C    17.3600  -29.5400
            18  C8x C    18.6200  -28.8400
            19  C8y C    18.6200  -27.4400
            20  C8x C    17.4300  -26.7400
            21  C8x C    16.1700  -27.4400
            22  N1b N    19.8100  -26.7400
            23  C5a C    21.0000  -27.4400
            24  N1b N    22.1900  -26.7400
            25  O5a O    21.0000  -28.8400
            26  S4a S    23.3800  -27.4400
            27  C8y C    24.5700  -26.7400
            28  C8x C    26.3900  -25.4100
            29  C8x C    24.9900  -25.4100
            30  S2x S    25.6900  -27.5800
            31  C8y C    26.8100  -26.7400
            32  X   Cl   28.0000  -27.4400
            33  O3c O    22.6800  -28.8624
            34  O3c O    24.0800  -28.8624
BOND        37
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            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    9  11 1
            13   10  12 2
            14    8  13 2
            15    1  14 1
            16    2  15 1
            17   15  16 1
            18   11  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   11  21 2
            24   19  22 1
            25   22  23 1
            26   23  24 1
            27   23  25 2
            28   24  26 1
            29   26  27 1
            30   28  29 1
            31   29  27 2
            32   27  30 1
            33   30  31 1
            34   28  31 2
            35   31  32 1
            36   26  33 2
            37   26  34 2

» Japanese version   » Back

DBGET integrated database retrieval system