KEGG   DRUG: TirofibanHelp
Entry
D08607                      Drug                                   

Name
Tirofiban (INN);
Agrastat (TN)
Formula
C22H36N2O5S
Exact mass
440.2345
Mol weight
440.5966
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
 DG01811  Fibrinogen receptor antagonist
Remark
Same as: C07965
ATC code: B01AC17
Chemical structure group: DG00159
Product (DG00159): D01029<US>
Efficacy
Platelet aggregation inhibitor, Glycoprotein IIb/IIIa receptor antagonist
Target
ITGA2B/ITGB3 [HSA:3674 3690] [KO:K06476 K06493]
  Pathway
hsa04611  Platelet activation
hsa04640  Hematopoietic cell lineage
Interaction
Drug interaction
Structure map
map07049  Antithrombosis agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC17 Tirofiban
      D08607  Tirofiban (INN)
Target-based classification of drugs [BR:br08310]
 Cell surface molecules and ligands
  Cell adhesion molecules: other families
   Integrins
    ITGA2B/ITGB3
     D08607  Tirofiban (INN)
BRITE hierarchy
Other DBs
CAS: 144494-65-5
PubChem: 96025291
ChEBI: 9605
ChEMBL: CHEMBL916
DrugBank: DB00775
PDB-CCD: AGG[PDBj]
LigandBox: D08607
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8y C    16.8671  -15.7324
            2   C1b C    15.6736  -15.0303
            3   C8x C    16.8673  -17.1366
            4   C8x C    18.0607  -15.0303
            5   C1c C    14.4098  -15.7324
            6   C8x C    18.0607  -17.8387
            7   C8x C    19.2543  -15.7324
            8   N1b N    14.4098  -17.1366
            9   C6a C    13.2162  -15.0303
            10  C8y C    19.2543  -17.1366
            11  S4a S    13.2864  -17.9089
            12  O6a O    12.0227  -15.7324
            13  O6a O    13.2162  -13.6262
            14  O2a O    20.5180  -17.8387
            15  C1b C    12.0227  -17.1366
            16  O3c O    14.4800  -18.7515
            17  O3c O    12.1631  -18.7515
            18  C1b C    21.7116  -17.1366
            19  C1b C    10.8291  -17.8387
            20  C1b C    22.9052  -17.8387
            21  C1b C     9.5653  -17.1366
            22  C1b C    24.0987  -17.1366
            23  C1a C     8.3717  -17.8387
            24  C1b C    25.3625  -17.8387
            25  C1y C    26.5561  -17.1366
            26  C1x C    27.7496  -17.8387
            27  C1x C    26.5561  -15.7324
            28  C1x C    28.9432  -17.1366
            29  C1x C    27.7496  -15.0303
            30  N1x N    28.9432  -15.7324
BOND        31
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1 #Down
            8     5   9 1
            9     6  10 2
            10    8  11 1
            11    9  12 1
            12    9  13 2
            13   10  14 1
            14   11  15 1
            15   11  16 2
            16   11  17 2
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30    7  10 1
            31   29  30 1

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