KEGG   DRUG: EsmololHelp
Entry
D07916                      Drug                                   

Name
Esmolol (INN)
Formula
C16H25NO4
Exact mass
295.1784
Mol weight
295.374
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
beta1-Adrenergic blocking
Target
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Salivary secretion
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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