Structure of PDB 8tjl Chain A Binding Site BS01

Receptor Information
>8tjl Chain A (length=306) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIK
ELRTSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGC
LLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKT
PQHVKITDFGLAKLLGAKEYHAEGGKVPIKWMALESILHRIYTHQSDVWS
YGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVK
CWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDMHLPDEEDMDDVVDA
DEYLIP
Ligand information
Ligand IDHZ6
InChIInChI=1S/C15H22N6O2/c1-5-10(22)20-6-9(7-20)23-14-11-12(16)17-8-18-13(11)21(19-14)15(2,3)4/h8-9H,5-7H2,1-4H3,(H2,16,17,18)
InChIKeyRPAWNGSOLGHNNR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CCC(=O)N1CC(C1)Oc1nn(c2ncnc(N)c21)C(C)(C)C
OpenEye OEToolkits 2.0.7CCC(=O)N1CC(C1)Oc2c3c(ncnc3n(n2)C(C)(C)C)N
CACTVS 3.385CCC(=O)N1CC(C1)Oc2nn(c3ncnc(N)c23)C(C)(C)C
FormulaC15 H22 N6 O2
Name1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one
ChEMBL
DrugBank
ZINC
PDB chain8tjl Chain A 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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PDB8tjl ZNL0325, a Pyrazolopyrimidine-Based Covalent Probe, Demonstrates an Alternative Binding Mode for Kinases.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		L718 F723 M793 C797 D800 L844
Binding residue
(residue number reindexed from 1)		L23 F28 M96 C100 D103 L147
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:8tjl, PDBe:8tjl, PDBj:8tjl
PDBsum8tjl
PubMed38300264
UniProtP00533|EGFR_HUMAN Epidermal growth factor receptor (Gene Name=EGFR)

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