KEGG   DRUG: D07171Help
Entry
D07171                      Drug                                   

Name
Sitaxentan (USAN/INN)
Formula
C18H15ClN2O6S2
Exact mass
454.006
Mol weight
454.9045
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive
Remark
ATC code: 
Drug group: 
Target
endothelin receptor type A antagonist [HSA:1909] [KO:K04197];
endothelin receptor type B antagonist [HSA:1910] [KO:K04198]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02K OTHER ANTIHYPERTENSIVES
    C02KX Other antihypertensives
     C02KX03 Sitaxentan
      D07171  Sitaxentan (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Endothelin
    endothelin receptor type A
     Sitaxentan
      D07171  Sitaxentan (USAN/INN)
    endothelin receptor type B
     Sitaxentan
      D07171  Sitaxentan (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
184036-34-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   C8y C    18.2855  -17.6342
            2   C8y C    18.2855  -19.0276
            3   C8x C    19.4922  -19.7243
            4   C8y C    20.6990  -19.0276
            5   C8y C    20.6990  -17.6342
            6   C8x C    19.4922  -16.9375
            7   O2x O    16.9396  -17.2736
            8   C1x C    16.1806  -18.4422
            9   O2x O    17.0576  -19.5251
            10  C1a C    21.9244  -20.1533
            11  C1b C    21.9307  -16.9375
            12  C5a C    23.1376  -17.6342
            13  C8y C    24.3443  -16.9375
            14  C8y C    25.6195  -17.5052
            15  C8x C    26.5536  -16.4679
            16  C8x C    25.8556  -15.2590
            17  S2x S    24.4902  -15.5492
            18  S4a S    25.9061  -18.8544
            19  O3c O    24.5594  -19.1312
            20  O3c O    26.2667  -20.2004
            21  N1b N    27.2284  -18.5377
            22  C8y C    28.5942  -19.1198
            23  O2x O    28.9010  -20.4572
            24  N5x N    30.2678  -20.5786
            25  C8y C    30.8055  -19.3163
            26  C8y C    29.7712  -18.4146
            27  X   Cl   29.8957  -17.0118
            28  C1a C    32.1857  -18.9996
            29  O5a O    23.1376  -19.0274
BOND        32
            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     1   7 1
            8     7   8 1
            9     8   9 1
            10    9   2 1
            11    4  10 1
            12    5  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   13  17 1
            20   14  18 1
            21   18  19 2
            22   18  20 2
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   22  26 2
            30   26  27 1
            31   25  28 1
            32   12  29 2

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