Entry |
|
Name |
Tenatoprazole (JAN/INN); TU 199 |
Formula |
C16H18N4O3S
|
Exact mass |
346.11
|
Mol weight |
346.4041
|
Structure |
|
Simcomp |
|
Class |
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01646 Proton pump inhibitor (PPI)
|
Efficacy |
Antisecretory (gastric acid), Proton pump inhibitor |
Comment |
Benzimidazole derivative
|
Target |
|
Pathway |
|
Interaction |
|
Structure map |
|
Brite |
Drug groups [BR:br08330]
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01646 Proton pump inhibitor (PPI)
D01920 Tenatoprazole
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP4
D01920 Tenatoprazole (JAN/INN)
|
Other DBs |
|
KCF data |
ATOM 24
1 C8x C 16.6600 -22.9600
2 C8y C 16.6600 -24.3600
3 N5x N 17.8724 -25.0600
4 C8y C 19.0849 -24.3600
5 C8y C 19.0849 -22.9600
6 C8x C 17.8724 -22.2600
7 N5x N 20.4164 -24.7926
8 C8y C 21.2393 -23.6600
9 N4x N 20.4164 -22.5274
10 S4a S 22.6100 -23.6600
11 C1b C 23.3100 -24.8724
12 O3c O 23.3100 -22.4476
13 C8y C 24.7098 -24.8724
14 C8y C 25.4003 -26.0680
15 C8y C 26.8003 -26.0678
16 C8y C 27.5001 -24.8553
17 C8x C 26.8097 -23.6598
18 N5x N 25.4097 -23.6599
19 C1a C 24.7149 -27.2552
20 O2a O 27.4910 -27.2632
21 C1a C 28.9096 -27.2632
22 C1a C 28.9100 -24.8552
23 O2a O 15.4476 -25.0600
24 C1a C 14.2521 -24.3696
BOND 26
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 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 8 10 1
12 10 11 1
13 10 12 2
14 11 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 14 19 1
22 15 20 1
23 20 21 1
24 16 22 1
25 2 23 1
26 23 24 1
|