KEGG   DRUG: Roxifiban acetate
Entry
D05772                      Drug                                   

Name
Roxifiban acetate (USAN)
Formula
C21H29N5O6. C2H4O2
Exact mass
507.2329
Mol weight
507.5368
Structure
Class
Cardiovascular agent
 DG01811  Fibrinogen receptor antagonist
Efficacy
Antithrombotic, Platelet aggregation inhibitor, Glycoprotein IIb/IIIa receptor antagonist
Comment
Fibrinogen receptor antagonist
Target
ITGA2B/ITGB3 [HSA:3674 3690] [KO:K06476 K06493]
  Pathway
hsa04611  Platelet activation
hsa04640  Hematopoietic cell lineage
Brite
Target-based classification of drugs [BR:br08310]
 Cell surface molecules and ligands
  Cell adhesion molecules: other families
   Integrins
    ITGA2B/ITGB3
     D05772  Roxifiban acetate (USAN)
Other DBs
CAS: 176022-59-6
PubChem: 47207433
ChEMBL: CHEMBL2107050
LigandBox: D05772
LinkDB
KCF data

ATOM        36
            1   C6a C    38.5280  -21.9938
            2   C1a C    39.7888  -22.6943
            3   O6a O    37.3371  -22.6943
            4   O6a O    38.5280  -20.5928
            5   N1a N    17.7888  -16.4628
            6   C2c C    18.9796  -15.7623
            7   C8y C    20.2405  -16.4628
            8   N2a N    18.9796  -14.3614
            9   C8x C    20.2405  -17.8638
            10  C8x C    21.4314  -18.5643
            11  C8y C    22.6222  -17.8638
            12  C8x C    22.6222  -16.4628
            13  C8x C    21.4314  -15.7623
            14  C2y C    23.8130  -18.5643
            15  N2x N    24.2333  -19.8952
            16  O2x O    25.6343  -19.8952
            17  C1y C    26.0546  -18.5643
            18  C1x C    24.9338  -17.7237
            19  C1b C    27.2678  -17.8638
            20  C5a C    28.4812  -18.5643
            21  N1b N    29.6944  -17.8638
            22  C1b C    30.9077  -18.5643
            23  C1c C    32.1210  -17.8638
            24  N1b N    33.3343  -18.5643
            25  C7a C    34.5475  -17.8638
            26  O7a O    35.7609  -18.5643
            27  C1b C    36.9741  -17.8638
            28  C1b C    38.1875  -18.5643
            29  C1b C    39.4007  -17.8638
            30  O5a O    28.4812  -19.9651
            31  C7a C    32.1210  -16.4631
            32  O7a O    33.3551  -15.7503
            33  O6a O    30.9286  -15.7745
            34  C1a C    33.3551  -14.3494
            35  O6a O    34.5475  -16.4629
            36  C1a C    40.6387  -18.5789
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     5   6 1
            5     6   7 1
            6     6   8 2
            7     7   9 2
            8     9  10 1
            9    10  11 2
            10   11  12 1
            11   12  13 2
            12    7  13 1
            13   11  14 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  14 1
            18   15  14 2
            19   17  19 1 #Down
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   20  30 2
            31   23  31 1 #Up
            32   31  32 1
            33   31  33 2
            34   32  34 1
            35   25  35 2
            36   29  36 1

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