Structure of PDB 7ozy Chain AAA Binding Site BS01

Receptor Information
>7ozy Chain AAA (length=281) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELPEDPKWEFPRDKLTLGKPLGQVVMAEAVGIDKDKPKEAVTVAVKMLKD
DATEKDLSDLVSEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGN
LREYLRARRPPGMEEQMTFKDLVSCTYQLARGMEYLASQKCIHRDLAARN
VLVTENNVMKIADFGLARDINNIDYYKKTTNGRLPVKWMAPEALFDRVYT
HQSDVWSFGVLMWEIFTLGGSPYPGIPVEELFKLLKEGHRMDKPANCTNE
LYMMMRDCWHAVPSQRPTFKQLVEDLDRILT
Ligand information
Ligand ID47I
InChIInChI=1S/C23H22N4O/c28-20-8-3-16(4-9-20)18-5-10-21-22(15-18)25-26-23(21)17-1-6-19(7-2-17)27-13-11-24-12-14-27/h1-10,15,24,28H,11-14H2,(H,25,26)/p+1
InChIKeyOYKIIJTXTXJYKZ-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2c3ccc(cc3[nH]n2)c4ccc(cc4)O)N5CC[NH2+]CC5
CACTVS 3.385Oc1ccc(cc1)c2ccc3c([nH]nc3c4ccc(cc4)N5CC[NH2+]CC5)c2
FormulaC23 H23 N4 O
Name4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol;
4-[3-(4-piperazin-1-ylphenyl)-1H-indazol-6-yl]phenol (uncharged compound's name)
ChEMBL
DrugBank
ZINC
PDB chain7ozy Chain AAA Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ozy From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		L487 V495 A515 K517 E534 Y566 A567 L633
Binding residue
(residue number reindexed from 1)		L21 V24 A44 K46 E63 Y95 A96 L152
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7ozy, PDBe:7ozy, PDBj:7ozy
PDBsum7ozy
PubMed34780700
UniProtP21802|FGFR2_HUMAN Fibroblast growth factor receptor 2 (Gene Name=FGFR2)

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