KEGG   DRUG: D03642Help
Entry
D03642                      Drug                                   

Name
Daltroban (USAN/INN)
Formula
C16H16ClNO4S
Exact mass
353.0489
Mol weight
353.8205
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Immunosuppressant
Target
thromboxane A2 (TXA2) receptor antagonist [HSA:6915] [KO:K04264]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thromboxane
    thromboxane A2 (TXA2) receptor
     Daltroban
      D03642  Daltroban (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
79094-20-5
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C8x C     9.0300  -20.2300
            2   C8y C     9.0300  -21.6300
            3   C8x C    10.2424  -22.3300
            4   C8x C    11.4549  -21.6300
            5   C8y C    11.4549  -20.2300
            6   C8x C    10.2424  -19.5300
            7   X   Cl    7.8176  -22.3300
            8   S4a S    12.6860  -19.5190
            9   N1b N    13.8912  -20.2147
            10  C1b C    15.0735  -19.5319
            11  C1b C    16.2675  -20.2212
            12  C8y C    17.4554  -19.5352
            13  C8x C    18.6465  -20.2229
            14  C8x C    19.8590  -19.5229
            15  C8y C    19.8590  -18.1229
            16  C8x C    18.6679  -17.4352
            17  C8x C    17.4555  -18.1352
            18  C1b C    21.0840  -17.4155
            19  C6a C    22.2921  -18.1130
            20  O6a O    23.4730  -17.4310
            21  O6a O    22.2926  -19.5296
            22  O3c O    11.9860  -18.3065
            23  O3c O    13.3860  -18.3065
BOND        24
            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    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   15  18 1
            20   18  19 1
            21   19  20 1
            22   19  21 2
            23    8  22 2
            24    8  23 2

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