KEGG   DRUG: D09774Help
Entry
D09774                      Drug                                   

Name
Imitrodast sodium (JAN);
RS 5186
Formula
C13H11N2O2S. Na
Exact mass
282.0439
Mol weight
282.2934
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Drug group: 
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
     Imitrodast
      D09774  Imitrodast sodium (JAN)
BRITE hierarchy
Other DBs
CAS: 
113817-57-5
PubChem: 
LigandBox: 
KCF data Show

ATOM        19
            1   C2y C    15.2600  -20.4400
            2   C1x C    15.2600  -21.8400
            3   C1x C    16.4724  -22.5400
            4   C8y C    17.6849  -21.8400
            5   C8y C    17.6849  -20.4400
            6   C2x C    16.4724  -19.7400
            7   C8x C    19.0164  -22.2726
            8   C8y C    19.8393  -21.1400
            9   S2x S    19.0164  -20.0074
            10  C6a C    14.0476  -19.7400
            11  O6a O    12.8521  -20.4304 #-
            12  O6a O    14.0475  -18.3402
            13  C1b C    21.2100  -21.1400
            14  N4y N    21.9100  -19.9276
            15  C8x C    23.3100  -19.9276
            16  C8x C    23.7426  -18.5961
            17  N5x N    22.6100  -17.7732
            18  C8x C    21.4774  -18.5961
            19  Z   Na   10.7100  -20.4400 #+
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    1  10 1
            12   10  11 1
            13   10  12 2
            14    8  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   14  18 1

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