| Entry |
|
|---|
| Name |
Obatoclax mesylate (USAN) |
|---|
| Formula |
C20H19N3O. CH4SO3
|
|---|
| Exact mass |
413.1409
|
|---|
| Mol weight |
413.49
|
|---|
| Structure |
|
|---|
| Class |
Unclassified
DG03337 BCL-2 inhibitor
|
|---|
| Efficacy |
Antineoplastic, Bcl-2 inhibitor |
|---|
| Comment |
Treatment of chronic lymphocytic leukemia and solid tumor cancer
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Unclassified
DG03337 BCL-2 inhibitor
D08954 Obatoclax mesylate
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Apoptosis
BCL2
D08954 Obatoclax mesylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8x C 13.1600 -14.3500
2 C8x C 13.1600 -15.7500
3 C8x C 14.3724 -16.4500
4 C8y C 15.5849 -15.7500
5 C8y C 15.5849 -14.3500
6 C8x C 14.3724 -13.6500
7 N4x N 16.9164 -16.1826
8 C8y C 17.7393 -15.0500
9 C8x C 16.9164 -13.9174
10 C2y C 19.1100 -15.0500
11 C2x C 19.9329 -16.1826
12 C2y C 21.2644 -15.7500
13 C2y C 21.2644 -14.3500
14 N2x N 19.9329 -13.9174
15 O2a O 22.4072 -16.5804
16 C2b C 22.4072 -13.5196
17 C8y C 23.6766 -14.0847
18 N4x N 23.9639 -15.4366
19 C8y C 25.3385 -15.5811
20 C8x C 25.9007 -14.3185
21 C8y C 24.8736 -13.3937
22 C1a C 24.8825 -11.9807
23 C1a C 26.0515 -16.8157
24 C1a C 22.4072 -17.9804
25 S4a S 31.5000 -15.5400
26 O1d O 31.5000 -14.1400
27 O1d O 31.5000 -16.9400
28 O1d O 32.9000 -15.5400
29 C1a C 30.1000 -15.5400
BOND 31
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 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 1
16 10 14 2
17 12 15 1
18 13 16 2
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 2
23 20 21 1
24 17 21 2
25 21 22 1
26 19 23 1
27 15 24 1
28 25 26 2
29 25 27 2
30 25 28 1
31 25 29 1
|
|---|
