KEGG   DRUG: D09696Help
Entry
D09696                      Drug                                   

Name
Vilanterol (USAN)
Formula
C24H33Cl2NO5
Exact mass
485.1736
Mol weight
486.4285
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of COPD and asthma
Comment
long-acting beta2 agonist (LABA)
Target
beta2-adrenergic receptor agonist [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Vilanterol
      D09696  Vilanterol (USAN)
BRITE hierarchy
Other DBs
CAS: 
503068-34-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        32
            1   C8y C     8.3300  -15.8900
            2   C8y C     8.3300  -14.4200
            3   C8x C     9.5900  -13.7200
            4   C8x C    10.7800  -14.4200
            5   C8y C    10.7800  -15.8900
            6   C8x C     9.5900  -16.5900
            7   C1c C    12.0400  -16.5900
            8   C1b C    13.2300  -15.8900
            9   N1b N    14.4200  -16.5900
            10  C1b C    15.6800  -15.8900
            11  C1b C    16.8700  -16.5900
            12  C1b C    18.0600  -15.8900
            13  C1b C    19.2500  -16.5900
            14  C1b C    20.4400  -15.8900
            15  C1b C    21.6300  -16.5900
            16  O2a O    22.8200  -15.8900
            17  O1a O    12.0400  -17.9900
            18  C1b C    24.0800  -16.5900
            19  C1b C    25.2700  -15.8900
            20  O2a O    26.4600  -16.5900
            21  C1b C    27.6500  -15.8900
            22  C8y C    28.8400  -16.5900
            23  C8y C    30.0300  -15.8900
            24  C8x C    31.2900  -16.5900
            25  C8x C    31.2900  -17.9900
            26  C8x C    30.1000  -18.6900
            27  C8y C    28.8400  -17.9900
            28  X   Cl   27.5800  -18.6900
            29  X   Cl   30.0300  -14.4200
            30  C1b C     7.1400  -16.5900
            31  O1a O     5.9500  -15.8900
            32  O1a O     7.1400  -13.7200
BOND        33
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17    7  17 1 #Down
            18   16  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   22  27 2
            29   27  28 1
            30   23  29 1
            31    1  30 1
            32   30  31 1
            33    2  32 1

» Japanese version   » Back

DBGET integrated database retrieval system