KEGG   DRUG: Sitaxentan sodiumHelp
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
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01502  Endothelin receptor antagonist
Remark
ATC code: 
Chemical group: 
Activity
Antihypertensive, Endothelin receptor type A antagonist
Comment
Treatment of congestive heart failure, ischemic deficits in patients with subarachnoid, treatment of hypertension, and treatment of prostate cancer
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02K OTHER ANTIHYPERTENSIVES
    C02KX Antihypertensive for pulmonary arterial hypertension
     C02KX03 Sitaxentan
      D08517  Sitaxentan sodium (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Endothelin
    endothelin receptor type A
     Sitaxentan
      D08517  Sitaxentan sodium (USAN)
    endothelin receptor type B
     Sitaxentan
      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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