KEGG   DRUG: ArotinololHelp
Entry
D07465                      Drug                                   

Name
Arotinolol (INN)
Formula
C15H21N3O2S3
Exact mass
371.0796
Mol weight
371.5411
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
   DG01462  beta2-Adrenergic receptor antagonist
   DG01463  beta3-Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01457  alpha1-Adrenergic receptor antagonist
Remark
Chemical group: 
Activity
Antiarrhythmic, Adrenergic receptor antagonist
Target
alpha1-adrenergic receptor [HSA:146 147 148] [KO:K04137 K04136 K04135];
alpha2-adrenergic receptor [HSA:150 151 152] [KO:K04138 K04139 K04140];
beta1-adrenergic receptor [HSA:153] [KO:K04141];
beta2-adrenergic receptor [HSA:154] [KO:K04142];
beta3-adrenergic receptor [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Salivary secretion
Interaction
Drug interaction
Structure map
beta-Adrenergic receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Arotinolol
      D07465  Arotinolol (INN)
    beta1-adrenergic receptor
     Arotinolol
      D07465  Arotinolol (INN)
    beta2-adrenergic receptor
     Arotinolol
      D07465  Arotinolol (INN)
    beta3-adrenergic receptor
     Arotinolol
      D07465  Arotinolol (INN)
BRITE hierarchy
Other DBs
CAS: 
68377-92-4
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C1d C    24.5700  -20.4400
            2   C1a C    25.7824  -21.1400
            3   N1b N    23.3576  -21.1400
            4   C1a C    24.5700  -19.0400
            5   C1a C    25.7824  -19.7400
            6   C1b C    22.1621  -20.4496
            7   C1c C    20.9747  -21.1351
            8   C1b C    19.7835  -20.4471
            9   S2a S    18.5940  -21.1338
            10  O1a O    20.9745  -22.5398
            11  C8y C    18.5940  -22.5338
            12  N5x N    17.4757  -23.3466
            13  C8y C    17.9032  -24.6613
            14  C8x C    19.2856  -24.6611
            15  S2x S    19.7126  -23.3462
            16  C8y C    17.0964  -25.7721
            17  S2x S    15.6801  -25.7726
            18  C8y C    15.2428  -27.1198
            19  C8x C    16.3889  -27.9520
            20  C8x C    17.5345  -27.1191
            21  C5a C    13.8428  -27.1198
            22  O5a O    13.1340  -25.8929
            23  N1a N    13.1601  -28.3025
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     3   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     7  10 1
            10    9  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   11  15 1
            16   13  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   16  20 2
            22   18  21 1
            23   21  22 2
            24   21  23 1

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