KEGG   DRUG: D03502Help
Entry
D03502                      Drug                                   

Name
Cimaterol (USAN/INN)
Formula
C12H17N3O
Exact mass
219.1372
Mol weight
219.2829
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Repartitioning agent
Remark
Drug group: 
Target
beta1-adrenergic receptor agonist [HSA:153] [KO:K04141];
beta2-adrenergic receptor agonist [HSA:154] [KO:K04142];
beta3-adrenergic receptor agonist [HSA:155] [KO:K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Cimaterol
      D03502  Cimaterol (USAN/INN)
    beta2-adrenergic receptor
     Cimaterol
      D03502  Cimaterol (USAN/INN)
    beta3-adrenergic receptor
     Cimaterol
      D03502  Cimaterol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
54239-37-1
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        16
            1   C8y C    13.5100  -14.4900
            2   C8y C    13.5100  -13.0900
            3   C8x C    14.7000  -12.3900
            4   C8x C    15.9600  -13.0900
            5   C8y C    15.9600  -14.4900
            6   C8x C    14.7000  -15.1900
            7   C1c C    17.1500  -15.1900
            8   N1a N    12.3200  -12.3900
            9   C1b C    18.3400  -14.4900
            10  O1a O    17.1500  -16.5900
            11  C3b C    12.2947  -15.1851
            12  N3a N    11.0823  -15.8851
            13  N1b N    19.5581  -15.1801
            14  C1c C    20.7395  -14.4850
            15  C1a C    21.9449  -15.1680
            16  C1a C    20.7281  -13.0900
BOND        16
            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     2   8 1
            9     7   9 1
            10    7  10 1
            11    1  11 1
            12   11  12 3
            13    9  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 1

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