KEGG   DRUG: Zalunfiban acetate
Entry
D12163                      Drug                                   
Name
Zalunfiban acetate (USAN)
Formula
C16H18N8O2S. C2H4O2
Exact mass
446.1485
Mol weight
446.49
Structure
Remark
Chemical structure group: DG03167
Efficacy
Platelet aggregation inhibitor, Glycoprotein IIb/IIIa receptor antagonist
Comment
Treatment of ST segment elevated myocardial infarction
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
     D12163  Zalunfiban acetate (USAN)
Other DBs
CAS: 2376629-15-9
PubChem: 497620576
LinkDB
KCF data

ATOM        31
            1   N4y N    20.5480  -15.0780
            2   C8y C    20.5480  -16.4806
            3   N5x N    21.7402  -17.1819
            4   C8y C    23.0025  -16.4806
            5   C8x C    23.0025  -15.0780
            6   C8y C    21.7402  -14.3767
            7   O5x O    21.7402  -12.9741
            8   N5x N    19.2155  -14.6572
            9   C8y C    18.3739  -15.7793
            10  S2x S    19.2155  -16.9013
            11  C8y C    16.9713  -15.7793
            12  C8x C    16.2701  -14.5871
            13  N5x N    14.8675  -14.5871
            14  C8x C    14.1662  -15.7793
            15  C8y C    14.8675  -16.9715
            16  C8x C    16.2701  -16.9715
            17  N1b N    14.1662  -18.1637
            18  C5a C    12.7636  -18.1637
            19  O5a O    12.0623  -16.9715
            20  C1b C    12.0623  -19.3559
            21  N1a N    10.6597  -19.3559
            22  N1y N    24.1947  -17.1819
            23  C1x C    24.1947  -18.5845
            24  C1x C    25.3869  -19.2858
            25  N1x N    26.6492  -18.5845
            26  C1x C    26.6492  -17.1819
            27  C1x C    25.3869  -16.4806
            28  C6a C    30.7300  -18.3400
            29  C1a C    31.9424  -19.0400
            30  O6a O    29.5176  -19.0400
            31  O6a O    30.7300  -16.9400
BOND        33
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     1   8 1
            9     8   9 2
            10    9  10 1
            11    2  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   15  17 1
            20   17  18 1
            21   18  19 2
            22   18  20 1
            23   20  21 1
            24    4  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   28  29 1
            32   28  30 1
            33   28  31 2

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