| Entry |
|
|---|
| Name |
Verubulin (USAN/INN) |
|---|
| Formula |
C17H17N3O
|
|---|
| Exact mass |
279.1372
|
|---|
| Mol weight |
279.34
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Tubulin polymerization inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D10029 Verubulin (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 C8x C 12.4600 -18.7600
2 C8y C 12.4600 -20.1600
3 C8x C 13.6724 -20.8600
4 C8x C 14.8849 -20.1600
5 C8y C 14.8849 -18.7600
6 C8x C 13.6724 -18.0600
7 O2a O 11.2476 -20.8600
8 C1a C 10.0521 -20.1696
9 N1c N 16.1160 -18.0490
10 C8y C 17.3212 -18.7447
11 C1a C 16.1157 -16.6601
12 N5x N 17.3216 -20.1596
13 C8y C 18.5342 -20.8593
14 N5x N 19.7465 -20.1589
15 C8y C 19.7460 -18.7439
16 C8y C 18.5334 -18.0443
17 C8x C 20.9583 -18.0436
18 C8x C 20.9578 -16.6436
19 C8x C 19.7452 -15.9439
20 C8x C 18.5330 -16.6443
21 C1a C 18.5346 -22.2599
BOND 23
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 2 7 1
8 7 8 1
9 5 9 1
10 9 10 1
11 9 11 1
12 10 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 10 16 1
18 15 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 16 20 1
23 13 21 1
|
|---|
