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 searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
 DG01811  Fibrinogen receptor antagonist
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Platelet aggregation inhibitor, Glycoprotein IIb/IIIa receptor antagonist
Comment
Indication: Acute coronary syndrome
Target
ITGA2B/ITGB3 [HSA:3674 3690] [KO:K06476 K06493]
  Pathway
Focal adhesion
ECM-receptor interaction
Interaction
Drug interaction
Structure map
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]
 Others
  Cell adhesion molecules (CAMs)
   glycoprotein alpha IIb/beta3 (GPIIb/IIIa) receptor
    Tirofiban
     D08607  Tirofiban (INN)
BRITE hierarchy
Other DBs
CAS: 
144494-65-5
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
PDB-CCD: 
LigandBox: 
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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