Entry |
|
Name |
Verosudil (USAN/INN) |
Formula |
C17H17N3O2S
|
Exact mass |
327.1041
|
Mol weight |
327.40
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Antiglaucoma, Rho-associated kinase inhibitor |
Comment |
Treatment of glaucoma
|
Target |
|
Pathway |
hsa04270 | Vascular smooth muscle contraction |
|
Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
AGC group
ROCK
D10737 Verosudil (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 23
1 C8y C 18.0600 -13.7900
2 C8x C 18.0600 -15.1900
3 C8x C 19.2724 -15.8900
4 C8y C 20.4849 -15.1900
5 C8y C 20.4849 -13.7900
6 C8x C 19.2724 -13.0900
7 C8y C 21.6973 -15.8900
8 N4x N 22.9097 -15.1900
9 C8x C 22.9097 -13.7900
10 C8x C 21.6973 -13.0900
11 N1b N 16.8476 -13.0900
12 C5a C 15.6351 -13.7900
13 O5a O 15.6351 -15.1900
14 C1c C 14.4227 -13.0900
15 N1c N 13.2103 -13.7900
16 C1a C 13.2103 -15.1900
17 C1a C 11.9978 -13.0900
18 C8y C 14.4227 -11.6900
19 C8x C 15.5536 -10.8684
20 C8x C 15.1216 -9.5390
21 S2x S 13.7238 -9.5390
22 C8x C 13.2918 -10.8684
23 O5x O 21.6973 -17.2900
BOND 25
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 5 10 1
12 1 11 1
13 11 12 1
14 12 13 2
15 12 14 1
16 14 15 1
17 15 16 1
18 15 17 1
19 14 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 1
24 18 22 2
25 7 23 2
|