| Entry |
|
|---|
| Name |
Bunolol hydrochloride (USAN) |
|---|
| Formula |
C17H25NO3. HCl
|
|---|
| Exact mass |
327.1601
|
|---|
| Mol weight |
327.8462
|
|---|
| Structure |
|
|---|
| 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 |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB
D03177 Bunolol hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
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
|
|---|
