KEGG   DRUG: D08517Help
Entry
D08517                      Drug                                   

Name
Sitaxentan sodium (USAN);
Thelin (TN)
Formula
C18H15ClN2O6S2. Na
Exact mass
476.9958
Mol weight
477.8943
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of congestive heart failure, ischemic deficits in patients with subarachnoid, treatment of hypertension, and treatment of prostate cancer (endothelin receptor antagonist;
specific for the ETA receptor)
Remark
ATC code: 
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
      D08517  Sitaxentan sodium (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Endothelin
    endothelin receptor type A [HSA:1909] [KO:K04197]
     Sitaxentan [C02KX03]
      D08517  Sitaxentan sodium (USAN)
    endothelin receptor type B [HSA:1910] [KO:K04198]
     Sitaxentan [C02KX03]
      D08517  Sitaxentan sodium (USAN)
BRITE hierarchy
Other DBs
CAS: 
210421-74-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        30
            1   C8y C    18.2700  -17.6400
            2   C8y C    18.2700  -19.0400
            3   C8x C    19.5300  -19.7400
            4   C8y C    20.7200  -19.0400
            5   C8y C    20.7200  -17.6400
            6   C8x C    19.5300  -16.9400
            7   O2x O    16.9400  -17.2900
            8   C1x C    16.1700  -18.4800
            9   O2x O    17.0800  -19.5300
            10  C1a C    21.9100  -20.1600
            11  C1b C    21.9100  -16.9400
            12  C5a C    23.1700  -17.6400
            13  C8y C    24.3600  -16.9400
            14  C8y C    25.6200  -17.5000
            15  C8x C    26.5300  -16.4500
            16  C8x C    25.9000  -15.2600
            17  S2x S    24.5000  -15.5400
            18  S4a S    25.9000  -18.8300
            19  O3c O    24.5700  -19.1100
            20  O3c O    26.2500  -20.2300
            21  N1b N    27.2300  -18.5500
            22  C8y C    28.6300  -19.1100
            23  O2x O    28.9100  -20.4400
            24  N5x N    30.3100  -20.5800
            25  C8y C    30.8000  -19.3200
            26  C8y C    29.7500  -18.4100
            27  X   Cl   29.8900  -17.0100
            28  C1a C    32.2000  -19.0400
            29  O5a O    23.1700  -19.0400
            30  Z   Na   27.9300  -13.7900
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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