Structure of PDB 8ov7 Chain A Binding Site BS01

Receptor Information
>8ov7 Chain A (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDK
IHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSPLVVL
PYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAA
RNCMLDEKFTVKVADFGLARVMYDKEYYSVHNKTGAKLPVKWMALESLQT
QKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEY
CPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG
Ligand information
Ligand IDW3W
InChIInChI=1S/C21H16F2N4O2/c1-12(13-3-2-4-14(5-13)19-9-24-11-25-19)27-10-18(20(28)26-21(27)29)15-6-16(22)8-17(23)7-15/h2-12H,1H3,(H,24,25)(H,26,28,29)/t12-/m0/s1
InChIKeyBZAXKVPYXQKLNZ-LBPRGKRZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3cccc(c3)c4[nH]cnc4
CACTVS 3.385C[C@H](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3cccc(c3)c4[nH]cnc4
OpenEye OEToolkits 2.0.7CC(c1cccc(c1)c2cnc[nH]2)N3C=C(C(=O)NC3=O)c4cc(cc(c4)F)F
OpenEye OEToolkits 2.0.7C[C@@H](c1cccc(c1)c2cnc[nH]2)N3C=C(C(=O)NC3=O)c4cc(cc(c4)F)F
FormulaC21 H16 F2 N4 O2
Name5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione
ChEMBL
DrugBank
ZINC
PDB chain8ov7 Chain A Residue 1401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ov7 Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		K1110 F1124 G1128 M1131 L1140 V1155 F1200 H1202 V1220 A1221 D1222 R1227
Binding residue
(residue number reindexed from 1)		K56 F70 G74 M77 L86 V98 F143 H145 V163 A164 D165 R170
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:8ov7, PDBe:8ov7, PDBj:8ov7
PDBsum8ov7
PubMed37343272
UniProtP08581|MET_HUMAN Hepatocyte growth factor receptor (Gene Name=MET)

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