| Entry |
|
|---|
| Name |
Vociprotafib (USAN/INN) |
|---|
| Formula |
C20H27ClN6O2S
|
|---|
| Exact mass |
450.1605
|
|---|
| Mol weight |
450.9854
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Protein tyrosine phosphatase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04670 | Leukocyte transendothelial migration |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphatases
PTPN11
D12799 Vociprotafib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 N5x N 22.7500 -14.9800
2 C8x C 22.7500 -13.5800
3 C8x C 21.5600 -12.8800
4 C8y C 20.3000 -13.5800
5 C8y C 20.3000 -14.9800
6 C8y C 21.5600 -15.6800
7 S2a S 19.1100 -12.8800
8 C8y C 17.9200 -13.5800
9 C8y C 16.7300 -12.8800
10 N5x N 15.4700 -13.5800
11 C8y C 15.4700 -14.9800
12 C8y C 16.6600 -15.6800
13 N5x N 17.9200 -14.9800
14 N1a N 21.5600 -17.0800
15 X Cl 19.1100 -15.6800
16 C1b C 16.6600 -17.0800
17 O1a O 17.8500 -17.7800
18 C1a C 16.7300 -11.4800
19 N1y N 14.2800 -15.6800
20 C1x C 13.0900 -14.9800
21 C1x C 11.8300 -15.6800
22 C1z C 11.8300 -17.0800
23 C1x C 13.0200 -17.7800
24 C1x C 14.2800 -17.0800
25 C1y C 10.5700 -16.5200
26 C1y C 9.5900 -17.5700
27 O2x O 10.2900 -18.8300
28 C1x C 11.6900 -18.4800
29 N1a N 10.2900 -15.1900
30 C1a C 8.1900 -17.4300
BOND 33
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 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 6 14 1
16 5 15 1
17 12 16 1
18 16 17 1
19 9 18 1
20 11 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 19 24 1
27 22 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 22 28 1
32 25 29 1 #Up
33 26 30 1 #Up
|
|---|
