Structure of PDB 7ukw Chain C Binding Site BS01

Receptor Information
>7ukw Chain C (length=287) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELKA
NKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREH
KDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITD
FGLAKLLVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGI
PASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEF
SKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEE
Ligand information
Ligand IDZRT
InChIInChI=1S/C30H36N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h6-12,17-18,20H,5,13-16,19H2,1-4H3,(H,32,39)(H,31,33,34)
InChIKeyJCMFJBUWEYTTAQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)Nc1cc(c(cc1N2CCOCC2)OC)Nc3nccc(n3)n4cc(c(n4)c5ccccc5)CN(C)C
ACDLabs 12.01CN(C)Cc1cn(nc1c1ccccc1)c1nc(ncc1)Nc1cc(NC(=O)CC)c(cc1OC)N1CCOCC1
CACTVS 3.385CCC(=O)Nc1cc(Nc2nccc(n2)n3cc(CN(C)C)c(n3)c4ccccc4)c(OC)cc1N5CCOCC5
FormulaC30 H36 N8 O3
NameN-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide;
lazertinib, bound form
ChEMBL
DrugBank
ZINC
PDB chain7ukw Chain C Residue 1101 [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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PDB7ukw Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448).
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L718 V726 A743 K745 L792 M793 P794 G796 C797 R841 N842 L844 D855
Binding residue
(residue number reindexed from 1)		L19 V27 A44 K46 L87 M88 P89 G91 C92 R136 N137 L139 D150
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:7ukw, PDBe:7ukw, PDBj:7ukw
PDBsum7ukw
PubMed36518696
UniProtP00533|EGFR_HUMAN Epidermal growth factor receptor (Gene Name=EGFR)

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