Structure of PDB 8ow3 Chain A Binding Site BS01

Receptor Information
>8ow3 Chain A (length=258) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLKKIHCAVKS
LGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRN
FIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFT
VKVADFGLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDV
NTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRI
SAIFSTFI
Ligand information
Ligand IDW40
InChIInChI=1S/C18H14F2N2O2/c1-11(12-5-3-2-4-6-12)22-10-16(17(23)21-18(22)24)13-7-14(19)9-15(20)8-13/h2-11H,1H3,(H,21,23,24)/t11-/m0/s1
InChIKeyPDFBJEYJDVRNBX-NSHDSACASA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@H](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3ccccc3
OpenEye OEToolkits 2.0.7CC(c1ccccc1)N2C=C(C(=O)NC2=O)c3cc(cc(c3)F)F
CACTVS 3.385C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3ccccc3
OpenEye OEToolkits 2.0.7C[C@@H](c1ccccc1)N2C=C(C(=O)NC2=O)c3cc(cc(c3)F)F
FormulaC18 H14 F2 N2 O2
Name5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione
ChEMBL
DrugBank
ZINC
PDB chain8ow3 Chain A Residue 1401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ow3 Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		F1124 M1131 L1140 L1142 V1155 L1157 F1200 V1220 A1221 D1222
Binding residue
(residue number reindexed from 1)		F57 M64 L73 L75 V88 L90 F133 V153 A154 D155
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8ow3, PDBe:8ow3, PDBj:8ow3
PDBsum8ow3
PubMed37343272
UniProtP08581|MET_HUMAN Hepatocyte growth factor receptor (Gene Name=MET)

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