| Entry |
|
|---|
| Name |
Litronesib (USAN/INN) |
|---|
| Formula |
C23H37N5O4S2
|
|---|
| Exact mass |
511.2287
|
|---|
| Mol weight |
511.71
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Kinesin inhibitor |
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
KIF11
D09636 Litronesib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 N1b N 18.4100 -16.8000
2 C5a C 17.2200 -17.5000
3 C1d C 16.0300 -16.8000
4 O5a O 17.2200 -18.9000
5 C1a C 14.8400 -17.5000
6 C1a C 16.0300 -15.4000
7 C1a C 14.7700 -16.1000
8 C2y C 19.6000 -17.5000
9 S2x S 20.0200 -18.8300
10 C1z C 21.4200 -18.8300
11 N1y N 21.8400 -17.5000
12 N2x N 20.7200 -16.6600
13 C5a C 23.0300 -16.8000
14 C1d C 24.2200 -17.5000
15 C1a C 25.4100 -16.8000
16 C1a C 24.2200 -18.9000
17 C1a C 25.4800 -18.2000
18 O5a O 23.0300 -15.4000
19 C8x C 19.3200 -22.4700
20 C8x C 20.7200 -22.4700
21 C8x C 21.4200 -21.2800
22 C8y C 20.7200 -20.0200
23 C8x C 19.3200 -20.0200
24 C8x C 18.6200 -21.2800
25 C1b C 22.1200 -20.0200
26 N1b N 23.5200 -20.0200
27 S4a S 24.2200 -21.2100
28 C1b C 25.6200 -21.2100
29 C1b C 26.3200 -22.4000
30 N1b N 27.7200 -22.4000
31 O3c O 23.0076 -21.9100
32 O3c O 24.2200 -22.6100
33 C1b C 28.4200 -23.6124
34 C1a C 29.8198 -23.6124
BOND 35
1 1 2 1
2 2 3 1
3 2 4 2
4 3 5 1
5 3 6 1
6 3 7 1
7 1 8 1
8 9 10 1
9 10 11 1
10 11 12 1
11 12 8 2
12 9 8 1
13 13 14 1
14 13 11 1
15 14 15 1
16 14 16 1
17 14 17 1
18 13 18 2
19 19 20 1
20 20 21 2
21 21 22 1
22 22 23 2
23 23 24 1
24 19 24 2
25 10 22 1 #Down
26 10 25 1 #Up
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 27 31 2
33 27 32 2
34 30 33 1
35 33 34 1
|
|---|
