| Entry |
|
|---|
| Name |
Migoprotafib (USAN/INN) |
|---|
| Formula |
C25H26N8O
|
|---|
| Exact mass |
454.223
|
|---|
| Mol weight |
454.5269
|
|---|
| 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
D12892 Migoprotafib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C8y C 27.6500 -15.9600
2 C1x C 27.6500 -17.3600
3 C1x C 26.4600 -18.0600
4 C1x C 25.2000 -17.3600
5 N1y N 25.2000 -15.9600
6 C8y C 26.4600 -15.2600
7 C8x C 26.4600 -13.8600
8 C8x C 27.6500 -13.1600
9 C8x C 28.8400 -13.8600
10 N5x N 28.8400 -15.2600
11 C8y C 24.0100 -15.2600
12 C8y C 22.7500 -15.8200
13 C8y C 21.7700 -14.7700
14 N4x N 22.4700 -13.5800
15 N5x N 23.8700 -13.8600
16 N5x N 22.2600 -17.1500
17 C8x C 20.9300 -17.4300
18 C8y C 20.0200 -16.3800
19 N5x N 20.4400 -15.0500
20 N1y N 18.6200 -16.6600
21 C1x C 18.2000 -17.9900
22 C1x C 16.8700 -18.2700
23 C1z C 15.8900 -17.2200
24 C1x C 16.3800 -15.9600
25 C1x C 17.7100 -15.6800
26 O2x O 15.3300 -18.4800
27 C8y C 14.0000 -18.3400
28 C8y C 13.7200 -17.0100
29 C1y C 14.9100 -16.3100
30 C8x C 12.9500 -19.3200
31 C8x C 11.6200 -18.9000
32 C8x C 11.3400 -17.5000
33 C8x C 12.3900 -16.5900
34 N1a N 15.0614 -14.9182
BOND 40
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 1 10 2
12 5 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 11 15 2
18 12 16 2
19 16 17 1
20 17 18 2
21 18 19 1
22 13 19 2
23 18 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 20 25 1
30 23 26 1
31 26 27 1
32 27 28 1
33 28 29 1
34 23 29 1
35 27 30 2
36 30 31 1
37 31 32 2
38 32 33 1
39 28 33 2
40 29 34 1 #Up
|
|---|
