KEGG   DRUG: Xemilofiban hydrochlorideHelp
Entry
D06335                      Drug                                   

Name
Xemilofiban hydrochloride (USAN)
Formula
C18H22N4O4. HCl
Exact mass
394.1408
Mol weight
394.8526
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01811  Fibrinogen receptor antagonist
Activity
Prevention of post-recanalization reocclusion of coronary vessels, Treatment of unstable angina
Target
glycoprotein alpha IIb/beta3 (GPIIb/IIIa) receptor [HSA:3674 3690] [KO:K06476 K06493]
  Pathway
Focal adhesion
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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