KEGG   DRUG: D07577Help
Entry
D07577                      Drug                                   

Name
Cinaciguat (JAN/INN)
Formula
C36H39NO5
Exact mass
565.2828
Mol weight
565.6986
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
guanylate cyclase activator
Target
soluble guanylate cyclase activator [HSA:2977 2982 2983] [KO:K12318 K12319]
  Pathway
hsa00230  Purine metabolism
hsa04270  Vascular smooth muscle contraction  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases
   soluble guanylate cyclase
    Cinaciguat
     D07577  Cinaciguat (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
329773-35-5
PubChem: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        42
            1   C8x C     7.1400  -18.8300
            2   C8x C     7.1400  -20.2300
            3   C8x C     8.3524  -20.9300
            4   C8x C     9.5649  -20.2300
            5   C8y C     9.5649  -18.8300
            6   C8x C     8.3524  -18.1300
            7   C1b C    10.7960  -18.1190
            8   C1b C    12.0012  -18.8147
            9   C8y C    13.1835  -18.1319
            10  C8x C    14.3775  -18.8212
            11  C8x C    15.5899  -18.1212
            12  C8y C    15.5899  -16.7212
            13  C8x C    14.3960  -16.0319
            14  C8x C    13.1835  -16.7319
            15  C1b C    16.8134  -16.0146
            16  O2a O    18.0224  -16.7125
            17  C8y C    19.2029  -16.0308
            18  C8y C    20.3978  -16.7207
            19  C8x C    21.6102  -16.0207
            20  C8x C    21.6102  -14.6207
            21  C8x C    20.4154  -13.9308
            22  C8x C    19.2029  -14.6308
            23  C1b C    20.3979  -18.1297
            24  C1b C    21.5894  -18.8178
            25  N1c N    22.7745  -18.1336
            26  C1b C    23.9669  -18.8222
            27  C1b C    22.7746  -16.7302
            28  C8y C    23.9686  -16.0408
            29  C8x C    25.1549  -16.7258
            30  C8x C    26.3673  -16.0258
            31  C8y C    26.3674  -14.6258
            32  C8x C    25.1811  -13.9409
            33  C8x C    23.9687  -14.6408
            34  C1b C    25.1558  -18.1358
            35  C1b C    26.3463  -18.8233
            36  C1b C    27.5361  -18.1364
            37  C6a C    28.7261  -18.8236
            38  O6a O    29.9162  -18.1366
            39  O6a O    28.7261  -20.2298
            40  C6a C    27.5948  -13.9170
            41  O6a O    28.8017  -14.6137
            42  O6a O    27.5946  -12.5301
BOND        45
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   12  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   18  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 1
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   32  33 2
            36   28  33 1
            37   26  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   37  39 2
            43   31  40 1
            44   40  41 1
            45   40  42 2

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