KEGG   DRUG: Clazosentan sodiumHelp
Entry
D07682                      Drug                                   

Name
Clazosentan sodium (JAN)
Formula
C25H21N9Na2O6S
Exact mass
621.1131
Mol weight
621.5355
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01502  Endothelin receptor antagonist
Activity
Vasodilator, Endothelin receptor type A antagonist
Target
endothelin receptor type A [HSA:1909] [KO:K04197]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Endothelin
    endothelin receptor type A
     Clazosentan
      D07682  Clazosentan sodium (JAN)
BRITE hierarchy
Other DBs
PubChem: 
KCF data Show

ATOM        43
            1   C8y C    24.5000  -15.9600
            2   N5x N    23.3100  -15.2600
            3   C8x C    22.0500  -15.9600
            4   C8y C    22.0500  -17.3600
            5   C8x C    23.3100  -18.0600
            6   C8x C    24.5000  -17.3600
            7   N5x N    25.6900  -18.0600
            8   C8y C    26.9500  -17.3600
            9   N1c N    26.9500  -15.9600
            10  O2a O    29.3300  -20.1600
            11  C1b C    29.3300  -21.5600
            12  C1b C    30.5200  -22.2600
            13  O1a O    31.7100  -21.5600
            14  C8x C    31.7100  -20.1600
            15  C8x C    30.5200  -19.4600
            16  C8y C    24.5000  -20.1600
            17  C8x C    23.3100  -19.4600
            18  C8x C    22.0500  -20.1600
            19  N5x N    22.0500  -21.5600
            20  C8y C    23.3100  -22.2600
            21  C8x C    24.5000  -21.5600
            22  C8y C    25.6900  -19.4600
            23  N5x N    26.8800  -20.1600
            24  C8y C    30.5200  -18.0600
            25  C8x C    32.9000  -19.4600
            26  C8x C    32.9000  -18.0600
            27  C8y C    31.7100  -17.3600
            28  C8y C    28.1400  -18.0600
            29  C8y C    28.1400  -19.4600
            30  O2a O    29.3300  -17.3600
            31  O2a O    31.7100  -15.9600
            32  C1a C    20.8600  -18.0600
            33  O3c O    26.8100  -14.4200
            34  C1a C    32.9700  -15.2600
            35  S4a S    25.6900  -15.2600
            36  O3c O    24.3600  -14.4200
            37  C8y C    23.3272  -23.6599
            38  N5x N    22.1938  -24.5050
            39  N5x N    22.6473  -25.8442
            40  N5x N    24.0611  -25.8267
            41  N4y N    24.4813  -24.4767
            42  Z   Na   28.1566  -15.2500
            43  Z   Na   25.8167  -24.0242
BOND        47
            1    19  20 2
            2    20  21 1
            3    21  16 2
            4     2   3 2
            5     3   4 1
            6    22  16 1
            7    23  22 2
            8     4   5 2
            9     5   6 1
            10    6   1 2
            11   24  15 1
            12   14  25 1
            13   25  26 2
            14   26  27 1
            15   27  24 2
            16   10  11 1
            17   11  12 1
            18   12  13 1
            19   28  29 2
            20   29  10 1
            21   24  30 1
            22   30  28 1
            23    7  22 1
            24   23  29 1
            25   28   8 1
            26   14  15 2
            27   27  31 1
            28    4  32 1
            29    1   2 1
            30    7   8 2
            31    8   9 1
            32    9  35 1
            33   35  33 2
            34   35   1 1
            35   31  34 1
            36   16  17 1
            37   17  18 2
            38   35  36 2
            39   18  19 1
            40   20  37 1
            41   38  39 1
            42   39  40 2
            43   40  41 1
            44   37  41 1
            45   37  38 2
            46    9  42 1
            47   41  43 1

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