| Entry |
|
|---|
| Name |
Vibunazole;
Bay N-7133 |
|---|
| Formula |
C15H20ClN3O2
|
|---|
| Exact mass |
309.1244
|
|---|
| Mol weight |
309.7912
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antifungal
DG01523 Triazole antifungal
|
|---|
| Efficacy |
Antifungal, Ergosterol biosynthesis inhibitor |
|---|
| Comment |
Triazole derivative
|
|---|
| Target |
sterol 14alpha-demethylase [KO: K05917] |
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antifungal
DG01523 Triazole antifungal
D02585 Vibunazole
Antimicrobials [BR:br08307]
Antifungals
Ergosterol biosynthesis inhibitor
Triazole
D02585 Vibunazole
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 C1d C 32.9675 -17.4354
2 C1b C 34.1815 -16.7294
3 C1b C 31.7594 -16.7294
4 N4y N 35.3895 -17.4413
5 O2a O 30.5455 -17.4354
6 N5x N 36.5165 -16.6113
7 C8x C 35.8241 -18.7624
8 C8y C 29.3374 -16.7294
9 C8x C 37.6401 -17.4282
10 N5x N 37.2210 -18.7566
11 C8x C 28.1293 -17.4354
12 C8x C 29.3374 -15.3286
13 C8x C 26.9094 -16.7294
14 C8x C 28.1293 -14.6283
15 C8y C 26.9094 -15.3286
16 X Cl 25.6897 -14.6283
17 O1a O 32.9790 -16.0351
18 C1d C 32.9790 -18.8362
19 C1a C 31.5784 -18.8362
20 C1a C 34.3795 -18.8362
21 C1a C 32.9790 -20.2367
BOND 22
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 1
7 5 8 1
8 6 9 2
9 7 10 2
10 8 11 1
11 8 12 2
12 11 13 2
13 12 14 1
14 13 15 1
15 15 16 1
16 9 10 1
17 14 15 2
18 1 17 1
19 1 18 1
20 18 19 1
21 18 20 1
22 18 21 1
|
|---|
