KEGG   DRUG: D05772Help
Entry
D05772                      Drug                                   

Name
Roxifiban acetate (USAN)
Formula
C21H29N5O6. C2H4O2
Exact mass
507.2329
Mol weight
507.5368
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antithrombotic;
Fibrinogen receptor antagonist
Target
glycoprotein alphaIIb/beta3 (GPIIb/IIIa) receptor antagonist [HSA:3674 3690] [KO:K06476 K06493]
  Pathway
hsa04510  Focal adhesion
hsa04512  ECM-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 Others
  Cell adhesion molecules (CAMs)
   glycoprotein alpha IIb/beta3 (GPIIb/IIIa) receptor
    Roxifiban
     D05772  Roxifiban acetate (USAN)
BRITE hierarchy
Other DBs
CAS: 
176022-59-6
PubChem: 
LigandBox: 
KCF data Show

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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