| Entry |
|
|---|
| Name |
Bisulepin |
|---|
| Formula |
C17H21NS2
|
|---|
| Exact mass |
303.1115
|
|---|
| Mol weight |
303.49
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Antiallergic, H1 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D07532 Bisulepin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 C8y C 29.2546 -17.3124
2 C1y C 30.5203 -16.7236
3 C8y C 31.7778 -17.3402
4 C8y C 32.0759 -18.6981
5 C8y C 28.9312 -18.6838
6 S2x S 31.2000 -19.7935
7 C1x C 29.7986 -19.7831
8 S2x S 33.4594 -18.8342
9 C8x C 34.0164 -17.5605
10 C8x C 32.9771 -16.6372
11 C8x C 28.2353 -16.3528
12 C8x C 26.8946 -16.7557
13 C8x C 26.5711 -18.1270
14 C8x C 27.5904 -19.0867
15 C1b C 30.5346 -15.3301
16 C1b C 31.7430 -14.6487
17 C1b C 32.9156 -15.3417
18 N1c N 34.1281 -14.6579
19 C1a C 35.3441 -15.3769
20 C1a C 34.1421 -13.2301
BOND 22
1 3 4 2
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 4 8 1
9 8 9 1
10 9 10 2
11 3 10 1
12 1 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 5 14 2
17 2 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 18 20 1
|
|---|
