Structure of PDB 7uyv Chain D Binding Site BS01 |
|
|
Ligand ID | OV5 |
InChI | InChI=1S/C21H15ClFN5O2/c1-2-24-20(29)11-6-7-17(25-9-11)28-15-8-14(18-12(22)4-3-5-13(18)23)27-16-10-26-21(30)19(15)16/h3-10H,2H2,1H3,(H,24,29)(H,25,27,28) |
InChIKey | GRSCUMLWKVMZMN-UHFFFAOYSA-N |
SMILES | Software | SMILES |
---|
CACTVS 3.385 | CCNC(=O)c1ccc(Nc2cc(nc3C=NC(=O)c23)c4c(F)cccc4Cl)nc1 | OpenEye OEToolkits 2.0.7 | CCNC(=O)c1ccc(nc1)Nc2cc(nc3c2C(=O)N=C3)c4c(cccc4Cl)F | ACDLabs 12.01 | CCNC(=O)c1ccc(nc1)Nc1cc(nc2C=NC(=O)c12)c1c(F)cccc1Cl |
|
Formula | C21 H15 Cl F N5 O2 |
Name | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide |
ChEMBL | |
DrugBank | |
ZINC |
|
PDB chain | 7uyv Chain D Residue 1201
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
Enzyme Commision number |
2.7.10.2: non-specific protein-tyrosine kinase. |
|
|
|