| Entry |
|
|---|
| Name |
Zibotentan (JAN/USAN/INN) |
|---|
| Formula |
C19H16N6O4S
|
|---|
| Exact mass |
424.0954
|
|---|
| Mol weight |
424.44
|
|---|
| Structure |
|
|---|
| Class |
Cardiovascular agent
DG01502 Endothelin receptor antagonist
|
|---|
| Efficacy |
Antineoplastic, Endothelin receptor type A antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01502 Endothelin receptor antagonist
D07741 Zibotentan
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Endothelin
EDNRA
D07741 Zibotentan (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 N5x N 21.4823 -21.5033
2 C8x C 21.4823 -22.8951
3 C8x C 22.6653 -23.5910
4 C8x C 23.9179 -22.8951
5 C8y C 23.9179 -21.5033
6 C8y C 22.6653 -20.8074
7 S4a S 25.1705 -20.7378
8 N1b N 26.3535 -21.4337
9 C8y C 27.5365 -20.8074
10 O3c O 26.1448 -19.7636
11 O3c O 24.1267 -19.7636
12 C8y C 22.6653 -19.3461
13 C8x C 23.9179 -18.7198
14 C8x C 23.9179 -17.2584
15 C8y C 22.6653 -16.5625
16 C8x C 21.4823 -17.2584
17 C8x C 21.4823 -18.6502
18 C8y C 22.6653 -15.1707
19 O2x O 23.7787 -14.3357
20 C8x C 23.3612 -13.0135
21 N5x N 21.9694 -13.0135
22 N5x N 21.5519 -14.3357
23 C8y C 28.7155 -21.5470
24 N5x N 29.9455 -20.8959
25 C8y C 29.9966 -19.5050
26 C8x C 28.8177 -18.7654
27 N5x N 27.5180 -19.4165
28 O2a O 28.7330 -22.9636
29 C1a C 29.9369 -23.6391
30 C1a C 31.2153 -18.8595
BOND 33
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 5 7 1
8 7 8 1
9 8 9 1
10 7 10 2
11 7 11 2
12 6 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 12 17 1
19 15 18 1
20 18 19 1
21 19 20 1
22 20 21 2
23 21 22 1
24 18 22 2
25 9 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 9 27 1
31 23 28 1
32 28 29 1
33 25 30 1
|
|---|
