Structure of PDB 7zy6 Chain A Binding Site BS01

Receptor Information
>7zy6 Chain A (length=293) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WKVVEDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDA
AMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIVNLLGACTIGGPT
LVITEYCCYGDLLNFLRRKRDELALDLEDLLSFSYQVAKGMAFLASKNCI
HRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPE
SIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRM
LSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISEST
Ligand information
Ligand IDKCI
InChIInChI=1S/C23H24N6/c1-17(18-7-8-22(25-14-18)28-9-4-5-10-28)27-20-12-19(13-24-15-20)21-16-26-23-6-2-3-11-29(21)23/h2-3,6-8,11-17,27H,4-5,9-10H2,1H3/t17-/m1/s1
InChIKeyXVRRLWMWIRHFPC-QGZVFWFLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H](c1ccc(nc1)N2CCCC2)Nc3cc(cnc3)c4cnc5n4cccc5
CACTVS 3.385C[CH](Nc1cncc(c1)c2cnc3ccccn23)c4ccc(nc4)N5CCCC5
CACTVS 3.385C[C@@H](Nc1cncc(c1)c2cnc3ccccn23)c4ccc(nc4)N5CCCC5
OpenEye OEToolkits 2.0.7CC(c1ccc(nc1)N2CCCC2)Nc3cc(cnc3)c4cnc5n4cccc5
FormulaC23 H24 N6
Name5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine
ChEMBL
DrugBank
ZINC
PDB chain7zy6 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zy6 Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
Resolution3.09 Å
Binding residue
(original residue number in PDB)		W557 L595 K623 E640 L644 V654 T670 Y672 C673 L799 C809 D810 F811
Binding residue
(residue number reindexed from 1)		W1 L29 K57 E74 L78 V88 T104 Y106 C107 L160 C170 D171 F172
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:0004714 transmembrane receptor protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0007169 cell surface receptor protein tyrosine kinase signaling pathway

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Molecular Function
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Biological Process
External links
PDB RCSB:7zy6, PDBe:7zy6, PDBj:7zy6
PDBsum7zy6
PubMed36728508
UniProtP10721|KIT_HUMAN Mast/stem cell growth factor receptor Kit (Gene Name=KIT)

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