KEGG   COMPOUND: C07965Help
Entry
C07965                      Compound                               

Name
Tirofiban
Formula
C22H36N2O5S
Exact mass
440.2345
Mol weight
440.5966
Structure
Mol fileKCF fileDB search
Remark
Same as: D08607
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: 10166
ChEBI: 9605
ChEMBL: CHEMBL916
PDB-CCD: AGG[PDBj]
NIKKAJI: J523.557J
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8y C    23.1371  -17.4663
            2   C1b C    21.9311  -16.7672
            3   C8x C    23.2012  -18.8529
            4   C8x C    24.3371  -16.7615
            5   C1c C    20.7252  -17.4663
            6   C8x C    24.3371  -19.5520
            7   C8x C    25.5431  -17.4606
            8   N1b N    20.7252  -18.8586
            9   C6a C    19.5133  -16.7672
            10  C8y C    25.5431  -18.8529
            11  S4a S    19.5832  -19.6277
            12  O6a O    18.3073  -17.4663
            13  O6a O    19.5133  -15.3749
            14  O2a O    26.7490  -19.5520
            15  C1b C    18.3073  -18.8586
            16  O3c O    20.7835  -20.5016
            17  O3c O    18.4531  -20.4957
            18  C1b C    27.9607  -18.8529
            19  C1b C    17.1016  -19.5577
            20  C1b C    29.1667  -19.5520
            21  C1b C    15.8956  -18.8586
            22  C1b C    30.3727  -18.8529
            23  C1a C    14.6896  -19.5577
            24  C1b C    31.5786  -19.5520
            25  C1y C    32.7846  -18.8529
            26  C1x C    33.9848  -19.5520
            27  C1x C    32.7788  -17.4606
            28  C1x C    35.1907  -18.8529
            29  C1x C    33.9848  -16.7615
            30  N1x N    35.1907  -17.4606
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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