KEGG   DRUG: D03177Help
Entry
D03177                      Drug                                   

Name
Bunolol hydrochloride (USAN)
Formula
C17H25NO3. HCl
Exact mass
327.1601
Mol weight
327.8462
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-adrenergic [beta-receptor]
Remark
Drug group: 
Target
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141];
beta2-adrenergic receptor antagonist [HSA:154] [KO:K04142];
beta3-adrenergic receptor antagonist [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
     Bunolol
      D03177  Bunolol hydrochloride (USAN)
    beta2-adrenergic receptor
     Bunolol
      D03177  Bunolol hydrochloride (USAN)
    beta3-adrenergic receptor
     Bunolol
      D03177  Bunolol hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
31969-05-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        22
            1   O2a O    15.6124  -16.5540
            2   C1b C    16.8103  -15.8493
            3   C1c C    18.0787  -16.5540
            4   C1b C    19.2767  -15.8493
            5   O1a O    18.0787  -17.9635
            6   N1b N    20.4747  -16.5540
            7   C1d C    21.7431  -15.8493
            8   C1a C    22.9411  -16.5540
            9   C1a C    21.7431  -14.6514
            10  C1a C    22.9636  -15.1447
            11  C8y C    15.6123  -17.9200
            12  C8y C    14.3981  -18.6210
            13  C8y C    14.3981  -20.0210
            14  C8x C    15.6105  -20.7210
            15  C8x C    16.8247  -20.0200
            16  C8x C    16.8248  -18.6200
            17  C1x C    13.1857  -17.9210
            18  C1x C    11.9733  -18.6209
            19  C1x C    11.9732  -20.0209
            20  C5x C    13.1857  -20.7210
            21  O5x O    13.1856  -22.1198
            22  X   Cl   23.1862  -21.2875
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1
            5     4   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 1
            9     7  10 1
            10    1  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   11  16 1
            17   12  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   13  20 1
            22   20  21 2

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