| Entry |
|
|---|
| Name |
Esuberaprost potassium (USAN) |
|---|
| Formula |
C24H29O5. K
|
|---|
| Exact mass |
436.1652
|
|---|
| Mol weight |
436.5824
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antihypertensive, Prostaglandin I2 receptor agonist |
|---|
| Comment |
Treatment of pulmonary arterial hypertension
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostacyclin
PTGIR
D11446 Esuberaprost potassium (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C1y C 16.0434 -19.1823
2 C1b C 21.9026 -20.0193
3 C3b C 23.1582 -19.2520
4 C3b C 24.3440 -18.4150
5 C2b C 17.0897 -20.0193
6 C2b C 18.4150 -19.2520
7 C1c C 19.5311 -20.0193
8 O1a O 19.5311 -21.4144
9 C1c C 20.7169 -19.2520
10 C1a C 20.7169 -18.2057
11 C1y C 16.0434 -17.7872
12 C1y C 14.7879 -17.4385
13 C1x C 13.9508 -18.4848
14 C1y C 14.7879 -19.6008
15 O1a O 14.4391 -20.9959
16 C1a C 26.0181 -17.4385
17 C8y C 16.8804 -16.7409
18 C8y C 16.0434 -15.6249
19 O2x O 14.7879 -16.0434
20 C8x C 18.2755 -16.6014
21 C8x C 18.8335 -15.2761
22 C8x C 17.9965 -14.1601
23 C8y C 16.6014 -14.2996
24 C1b C 15.7644 -13.2533
25 C1b C 14.4391 -13.2533
26 C1b C 13.6718 -12.2070
27 C6a C 12.2768 -12.2070
28 O6a O 11.3002 -10.9514 #-
29 O6a O 11.5792 -13.3928
30 Z K 9.5900 -10.8500 #+
BOND 31
1 2 3 1
2 3 4 3
3 5 6 2
4 6 7 1
5 7 8 1 #Down
6 7 9 1
7 2 9 1
8 9 10 1 #Up
9 1 5 1 #Up
10 1 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 1 14 1
15 14 15 1 #Down
16 4 16 1
17 17 18 1
18 18 19 1
19 11 17 1 #Down
20 12 19 1 #Down
21 17 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 18 23 2
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 27 29 2
|
|---|
