| Entry |
|
|---|
| Name |
Enisoprost (USAN/INN) |
|---|
| Formula |
C22H36O5
|
|---|
| Exact mass |
380.2563
|
|---|
| Mol weight |
380.52
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Anti-ulcerative, Prostaglandin E1 receptor agonist |
|---|
| Comment |
Prostaglandin derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostaglandin
PTGER1
D03999 Enisoprost (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C1y C 25.6618 -16.0706
2 C1y C 25.6618 -14.6757
3 C5x C 24.3352 -14.2447
4 C1x C 23.5153 -15.3732
5 C1y C 24.3352 -16.5017
6 O5x O 23.9079 -12.9299
7 O1a O 23.9079 -17.8164
8 C1b C 26.8698 -13.1388
9 C1b C 28.0779 -13.8363
10 C2b C 26.8698 -17.6076
11 C2b C 28.0779 -16.9101
12 C1b C 29.2858 -17.6076
13 C1d C 30.4938 -16.9101
14 C1b C 31.7019 -17.6076
15 C1b C 32.9098 -16.9101
16 C1b C 34.1177 -17.6076
17 C1a C 35.3258 -16.9101
18 C2b C 29.3045 -13.1279
19 C2b C 30.6994 -13.1279
20 C1b C 31.8914 -13.8363
21 C1b C 33.0994 -13.1388
22 C7a C 34.3073 -13.8363
23 O7a O 35.5153 -13.1388
24 C1a C 36.7234 -13.8363
25 O6a O 34.3073 -15.2311
26 O1a O 31.4837 -15.9201
27 C1a C 29.5038 -15.9201
BOND 27
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 3 6 2
7 5 7 1 #Down
8 2 8 1 #Down
9 8 9 1
10 1 10 1 #Up
11 10 11 2
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 9 18 1
19 18 19 2
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 22 25 2
26 13 26 1
27 13 27 1
|
|---|
