KEGG   DRUG: D02384Help
Entry
D02384                      Drug                                   

Name
Verlukast (USAN/INN)
Formula
C26H27ClN2O3S2
Exact mass
514.1152
Mol weight
515.0872
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-asthmatic [leukotriene antagonist]
Target
cysteinyl leukotriene receptor 1 (CYSLTR1) antagonist [HSA:10800] [KO:K04322]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Cysteinyl leukotriene
    cysteinyl leukotriene receptor 1
     Verlukast
      D02384  Verlukast (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
120443-16-5
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C8x C    15.7700  -18.6843
            2   C8y C    15.7700  -20.0786
            3   C8x C    16.9744  -20.7793
            4   C8x C    16.9744  -17.9906
            5   X   Cl   14.5620  -20.7798
            6   C8y C    18.1786  -18.6843
            7   C8y C    18.2194  -20.0786
            8   N5x N    19.3780  -20.7844
            9   C8y C    20.5894  -20.0888
            10  C8x C    20.5955  -18.6945
            11  C8x C    19.3899  -17.9959
            12  C2b C    21.7948  -20.7946
            13  C2b C    23.0062  -20.0991
            14  C8y C    24.2117  -20.8049
            15  C8x C    24.1990  -22.1939
            16  C8x C    25.4046  -22.8927
            17  C8x C    26.6088  -22.2041
            18  C8y C    26.6147  -20.8101
            19  C8x C    25.4165  -20.1044
            20  C1c C    27.8260  -20.1146
            21  S2a S    29.0314  -20.8203
            22  C1b C    30.2428  -20.1249
            23  C1b C    31.4482  -20.8306
            24  C5a C    32.6596  -20.1351
            25  N1c N    33.8649  -20.8408
            26  C1a C    35.1691  -20.0525
            27  C1a C    33.8590  -22.3280
            28  O5a O    32.6655  -18.7407
            29  S2a S    27.8949  -18.7226
            30  C1b C    29.0933  -18.0115
            31  C1b C    29.1503  -16.6245
            32  C6a C    30.3486  -15.9136
            33  O6a O    30.4089  -14.5203
            34  O6a O    31.5623  -16.5992
BOND        36
            1     6   7 2
            2    14  15 1
            3    15  16 2
            4    16  17 1
            5    17  18 2
            6    18  19 1
            7    19  14 2
            8     7   8 1
            9    18  20 1
            10    8   9 2
            11   20  21 1
            12    9  10 1
            13   21  22 1
            14   10  11 2
            15   22  23 1
            16   11   6 1
            17   23  24 1
            18    2   5 1
            19   24  25 1
            20    9  12 1
            21   25  26 1
            22    1   2 1
            23   25  27 1
            24   12  13 2
            25   24  28 2
            26    2   3 2
            27   13  14 1
            28    3   7 1
            29    6   4 1
            30    4   1 2
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35   32  34 2
            36   20  29 1 #Up

» Japanese version   » Back

DBGET integrated database retrieval system