Structure of PDB 8ovz Chain A Binding Site BS01

Receptor Information
>8ovz Chain A (length=286) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVK
SLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYM
KHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNC
MLDEKFTVKVADFGLARVMYDKEYYSVHNKTGAKLPVKWMALESLQTQKF
TTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPD
PLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG
Ligand information
Ligand IDW3N
InChIInChI=1S/C22H18N6O2/c1-13(14-4-2-5-15(8-14)19-10-23-12-24-19)28-11-18(21(29)26-22(28)30)17-7-3-6-16-9-25-27-20(16)17/h2-13H,1H3,(H,23,24)(H,25,27)(H,26,29,30)/t13-/m0/s1
InChIKeyRGEIAXNRJWEHFV-ZDUSSCGKSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4cccc(c4)c5c[nH]cn5
OpenEye OEToolkits 2.0.7CC(c1cccc(c1)c2c[nH]cn2)N3C=C(C(=O)NC3=O)c4cccc5c4[nH]nc5
CACTVS 3.385C[C@H](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4cccc(c4)c5c[nH]cn5
OpenEye OEToolkits 2.0.7C[C@@H](c1cccc(c1)c2c[nH]cn2)N3C=C(C(=O)NC3=O)c4cccc5c4[nH]nc5
FormulaC22 H18 N6 O2
Name1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione
ChEMBL
DrugBank
ZINC
PDB chain8ovz Chain A Residue 1411 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ovz Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
Resolution2.206 Å
Binding residue
(original residue number in PDB)		K1110 F1124 M1131 L1140 L1142 V1155 F1200 H1202 V1220 A1221 D1222 A1226 R1227
Binding residue
(residue number reindexed from 1)		K50 F64 M71 L80 L82 V95 F140 H142 V160 A161 D162 A166 R167
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:8ovz, PDBe:8ovz, PDBj:8ovz
PDBsum8ovz
PubMed37343272
UniProtP08581|MET_HUMAN Hepatocyte growth factor receptor (Gene Name=MET)

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