KEGG   DRUG: D07916Help
Entry
D07916                      Drug                                   

Name
Esmolol (INN)
Formula
C16H25NO4
Exact mass
295.1784
Mol weight
295.374
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
beta1-Adrenergic blocking
Remark
Same as: 
ATC code: 
Drug group: 
Target
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Structure map
beta-Adrenergic receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AB Beta blocking agents, selective
     C07AB09 Esmolol
      D07916  Esmolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Esmolol
      D07916  Esmolol (INN)
BRITE hierarchy
Other DBs
CAS: 
103598-03-4
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        21
            1   C1c C    25.0600  -24.2900
            2   C1a C    26.2724  -24.9900
            3   N1b N    23.8476  -24.9900
            4   C1a C    25.0600  -22.8900
            5   C1b C    22.6521  -24.2996
            6   C1c C    21.4647  -24.9851
            7   C1b C    20.2735  -24.2971
            8   O1a O    21.4645  -26.3898
            9   O2a O    19.0840  -24.9838
            10  C8y C    19.0840  -26.3838
            11  C8x C    17.8886  -27.0742
            12  C8x C    17.8889  -28.4742
            13  C8y C    19.1014  -29.1740
            14  C8x C    20.2968  -28.4836
            15  C8x C    20.2966  -27.0836
            16  C1b C    19.1016  -30.5900
            17  C1b C    17.8955  -31.2865
            18  C7a C    16.7030  -30.5980
            19  O7a O    15.5144  -31.2844
            20  O6a O    16.7028  -29.1903
            21  C1a C    14.3236  -30.5969
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     6   8 1
            8     7   9 1
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   10  15 1
            16   13  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   18  20 2
            21   19  21 1

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