KEGG   DRUG: D06335Help
Entry
D06335                      Drug                                   

Name
Xemilofiban hydrochloride (USAN)
Formula
C18H22N4O4. HCl
Exact mass
394.1408
Mol weight
394.8526
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Prevention of post-recanalization reocclusion of coronary vessels;
Treatment of unstable angina
Target
glycoprotein alpha IIb/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
    Xemilofiban
     D06335  Xemilofiban hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
156586-91-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        27
            1   C8x C     9.1000  -11.3400
            2   C8y C     9.1000  -12.7400
            3   C8x C    10.3124  -13.4400
            4   C8x C    11.5249  -12.7400
            5   C8y C    11.5249  -11.3400
            6   C8x C    10.3124  -10.6400
            7   C2c C     7.8876  -13.4400
            8   N1b N    12.7560  -10.6290
            9   C5a C    13.9612  -11.3247
            10  N1a N     6.6921  -12.7496
            11  N2a N     7.8875  -14.8398
            12  C1b C    15.1435  -10.6419
            13  O5a O    13.9616  -12.7396
            14  C1b C    16.3375  -11.3312
            15  C5a C    17.5254  -10.6452
            16  N1b N    18.7165  -11.3329
            17  C1c C    19.9059  -10.6461
            18  C1b C    21.0962  -11.3334
            19  O5a O    17.5255   -9.2402
            20  C3b C    19.9060   -9.2402
            21  C7a C    22.2861  -10.6463
            22  O7a O    23.4762  -11.3335
            23  C3a C    19.9060   -7.8402
            24  O6a O    22.2861   -9.2402
            25  C1b C    24.6661  -10.6464
            26  C1a C    25.8562  -11.3335
            27  X   Cl   22.6800  -14.3500
BOND        26
            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     2   7 1
            8     5   8 1
            9     8   9 1
            10    7  10 1
            11    7  11 2
            12    9  12 1
            13    9  13 2
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   15  19 2
            20   17  20 1 #Down
            21   18  21 1
            22   21  22 1
            23   20  23 3
            24   21  24 2
            25   22  25 1
            26   25  26 1

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