KEGG   DRUG: D07682Help
Entry
D07682                      Drug                                   

Name
Clazosentan sodium (JAN)
Formula
C25H21N9Na2O6S
Exact mass
621.1131
Mol weight
621.5355
Structure
Mol fileKCF fileDB searchJmolKegDraw
Target
endothelin receptor type A antagonist [HSA:1909] [KO:K04197]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  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 [HSA:1909] [KO:K04197]
     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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