Structure of PDB 8owg Chain A Binding Site BS01

Receptor Information
>8owg Chain A (length=244) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PELVQAVQHVVIGPSSLIVHGCVYHGTLLDIHCAVKSLNGEVSQFLTEGI
IMKDFSHPNVLSLLGICLSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIG
FGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARVPVKWM
ALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGR
RLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTF
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 chain8owg 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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PDB8owg Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
Resolution2.631 Å
Binding residue
(original residue number in PDB)		F1124 M1131 L1140 I1145 L1157 V1220 D1222
Binding residue
(residue number reindexed from 1)		F45 M52 L61 I66 L74 V137 D139
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
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Biological Process
External links
PDB RCSB:8owg, PDBe:8owg, PDBj:8owg
PDBsum8owg
PubMed37343272
UniProtP08581|MET_HUMAN Hepatocyte growth factor receptor (Gene Name=MET)

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