| Entry |
|
|---|
| Name |
Relenopride hydrochloride (USAN) |
|---|
| Formula |
C24H30ClFN4O4. nHCl
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Laxative, Prokinetic |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR4
D11221 Relenopride hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C8y C 10.1536 -17.9263
2 C8y C 10.1536 -16.5258
3 C8x C 11.3440 -15.8256
4 C8y C 12.6045 -16.5258
5 C8y C 12.6045 -17.9263
6 C8x C 11.3440 -18.6266
7 N1a N 8.9632 -15.8256
8 C5a C 13.7949 -18.6266
9 N1b N 14.9853 -17.9263
10 O5a O 13.7949 -20.0271
11 C1b C 16.2457 -18.6266
12 C1y C 17.4362 -17.9263
13 C1x C 17.4362 -16.5258
14 C1x C 18.6966 -15.8256
15 N1y N 19.8870 -16.5258
16 C1x C 19.8870 -17.9263
17 C1x C 18.6966 -18.6266
18 C1b C 21.0774 -15.8256
19 C1b C 22.2679 -16.5258
20 C1c C 23.4583 -15.8256
21 C8y C 24.6487 -16.5258
22 C8x C 25.8391 -15.8256
23 C8x C 27.0996 -16.5258
24 C8y C 27.0996 -17.9263
25 C8x C 25.9092 -18.6266
26 C8x C 24.6487 -17.9263
27 O7a O 23.4583 -14.4251
28 C7a C 24.6487 -13.7248
29 N1a N 25.8391 -14.4251
30 O6a O 24.6487 -12.3244
31 X F 28.2900 -18.6266
32 O2a O 13.8649 -15.8256
33 X Cl 8.9632 -18.6266
34 C1a C 13.8649 -14.4251
35 X Cl 22.4000 -20.7900
BOND 36
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 5 8 1
9 8 9 1
10 8 10 2
11 9 11 1
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 12 17 1
19 15 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 21 26 1
29 20 27 1 #Down
30 27 28 1
31 28 29 1
32 28 30 2
33 24 31 1
34 4 32 1
35 1 33 1
36 32 34 1
BRACKET 1 20.5800 -21.5600 20.5800 -19.6700
1 23.5200 -19.6700 23.5200 -21.5600
1 n
ORIGINAL 1 35
REPEAT 1
|
|---|
