| Entry |
|
|---|
| Name |
Mivobulin isethionate (USAN) |
|---|
| Formula |
C17H19N5O2. C2H6O4S
|
|---|
| Exact mass |
451.1526
|
|---|
| Mol weight |
451.4967
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Tubulin polymerization inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D05062 Mivobulin isethionate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8y C 10.3600 -13.7900
2 N5x N 10.3600 -15.1900
3 C8y C 11.5724 -15.8900
4 C8y C 12.7849 -15.1900
5 C8y C 12.7849 -13.7900
6 C8x C 11.5724 -13.0900
7 N2x N 13.9973 -15.8900
8 C2y C 15.2097 -15.1900
9 C1y C 15.2097 -13.7900
10 N1x N 13.9973 -13.0900
11 C8y C 16.4073 -15.8815
12 N1a N 11.5724 -17.2898
13 N1b N 9.1476 -13.0900
14 C7a C 7.9521 -13.7804
15 O7a O 6.7647 -13.0949
16 O6a O 7.9520 -15.1897
17 C1b C 5.5735 -13.7829
18 C1a C 4.3840 -13.0962
19 C8x C 16.4073 -17.2897
20 C8x C 17.6198 -17.9897
21 C8x C 18.8322 -17.2897
22 C8x C 18.8322 -15.8815
23 C8x C 17.6197 -15.1815
24 C1a C 16.4073 -13.0985
25 C1b C 23.8218 -15.4608
26 S4a S 25.2156 -15.4542
27 O1d O 25.2092 -14.0604
28 O1d O 26.6094 -15.4542
29 O1d O 25.2092 -16.8544
30 C1b C 23.1000 -14.2243
31 O1a O 21.7135 -14.2310
BOND 32
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 9 10 1
11 5 10 1
12 8 11 1
13 3 12 1
14 1 13 1
15 13 14 1
16 14 15 1
17 14 16 2
18 15 17 1
19 17 18 1
20 11 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 11 23 1
26 9 24 1 #Up
27 25 26 1
28 26 27 1
29 26 28 2
30 26 29 2
31 25 30 1
32 30 31 1
|
|---|
