| Entry |
|
|---|
| Name |
Omapatrilat (JAN/USAN/INN);
BMS 186716 |
|---|
| Formula |
C19H24N2O4S2
|
|---|
| Exact mass |
408.1177
|
|---|
| Mol weight |
408.5349
|
|---|
| Structure |
|
|---|
| Efficacy |
Antihypertensive, Neprilysin inhibitor |
|---|
| Comment |
Treatment of hypertension and congestive heart failure
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Metallo peptidases
MME (CD10)
D01970 Omapatrilat (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 C1x C 33.2960 -19.1343
2 C1y C 33.6217 -17.7852
3 C1x C 34.1799 -20.2507
4 C5x C 34.8777 -17.1805
5 S2x S 35.5754 -20.2507
6 N1y N 36.1337 -17.7852
7 C1y C 36.4593 -19.1343
8 C1x C 37.8031 -19.5306
9 C1x C 38.8182 -18.5649
10 C1x C 38.4925 -17.2158
11 C1y C 37.1488 -16.8196
12 O5x O 34.8748 -15.7799
13 N1b N 32.5286 -16.9022
14 C5a C 31.3216 -17.5855
15 C1c C 30.1239 -16.8752
16 C1b C 28.9104 -17.5568
17 C8y C 27.7134 -16.8469
18 O5a O 31.3050 -18.9988
19 S1a S 30.1404 -15.4730
20 C8x C 27.7298 -15.4451
21 C8x C 26.5249 -14.7305
22 C8x C 25.3033 -15.4166
23 C8x C 25.2869 -16.8185
24 C8x C 26.4920 -17.5332
25 C6a C 37.1488 -15.4196
26 O6a O 38.3857 -14.7056
27 O6a O 35.9441 -14.7238
BOND 29
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 6 11 1
13 4 12 2
14 2 13 1 #Down
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 14 18 2
20 15 19 1 #Down
21 17 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 17 24 1
27 11 25 1 #Down
28 25 26 1
29 25 27 2
|
|---|
