KEGG   DRUG: Bunolol hydrochlorideHelp
Entry
D03177                      Drug                                   

Name
Bunolol hydrochloride (USAN)
Formula
C17H25NO3. HCl
Exact mass
327.1601
Mol weight
327.8462
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular 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
Efficacy
Antiglaucoma, beta-Adrenergic receptor antagonist
Target
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D03177  Bunolol hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 31969-05-8
PubChem: 17397331
ChEMBL: CHEMBL2106021
LigandBox: D03177
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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