KEGG   DRUG: D02850Help
Entry
D02850                      Drug                                   

Name
Sulukast (USAN/INN)
Formula
C25H36N4O3S
Exact mass
472.2508
Mol weight
472.6433
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-asthmatic [leukotriene antagonist]
Comment
Leukotriene analogue
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
     Sulukast
      D02850  Sulukast (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
98116-53-1
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C8x C    21.6300  -16.9400
            2   C8y C    21.6300  -18.3400
            3   C8x C    22.8424  -19.0400
            4   C8y C    24.0549  -18.3400
            5   C8x C    24.0549  -16.9400
            6   C8x C    22.8424  -16.2400
            7   C8y C    20.4176  -19.0400
            8   C1c C    25.2860  -19.0510
            9   N5x N    19.1574  -18.4788
            10  N5x N    18.2343  -19.5039
            11  N5x N    18.9239  -20.6986
            12  N4x N    20.2732  -20.4119
            13  C1c C    26.4824  -18.3400
            14  C2b C    27.6949  -19.0400
            15  C2b C    28.9073  -18.3400
            16  C2b C    30.1197  -19.0400
            17  O1a O    25.2945  -20.4398
            18  S2a S    26.4736  -16.9401
            19  C1b C    27.6715  -16.2383
            20  C1b C    28.8727  -16.9219
            21  C6a C    30.0485  -16.2333
            22  O6a O    31.2541  -16.9195
            23  O6a O    30.0398  -14.8400
            24  C2b C    31.5197  -19.0400
            25  C1b C    32.7124  -18.3400
            26  C1b C    33.9249  -19.0400
            27  C1b C    35.1373  -18.3400
            28  C1b C    36.3497  -19.0400
            29  C1b C    37.5622  -18.3400
            30  C1b C    38.7746  -19.0400
            31  C1b C    39.9870  -18.3400
            32  C1b C    41.1995  -19.0400
            33  C1a C    42.4119  -18.3400
BOND        34
            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     2   7 1
            8     4   8 1
            9     7   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13    7  12 1
            14    8  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18    8  17 1 #Up
            19   13  18 1 #Down
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 2
            25   16  24 2
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   32  33 1

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