Structure of PDB 7f8h Chain C Binding Site BS01

Receptor Information
>7f8h Chain C (length=262) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGDNEIERVFVWDLDETIIIFHSLLTGTFASRYGKDTTTSVRIGLMMEEM
IFNLADTHLFFNDLEDCDQIHVDDVSSDDNGQDLSTYNFSADGFHSGVDW
MRKLAFRYRRVKEMYNTYKNNVGGLIGTPKRETWLQLRAELEALTDLWLT
HSLKALNLINSRPNCVNVLVTTTQLIPALAKVLLYGLGSVFPIENIYSAT
KTGKESCFERIMQRFGRKAVYVVIGDGVEEEQGAKKHNMPFWRISCHADL
EALRHALELEYL
Ligand information
Ligand ID1SI
InChIInChI=1S/C17H12FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-11H,(H,21,22)/b20-11+
InChIKeyVDKNIVFIPSLUFD-RGVLZGJSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccnc(c1)Sc2ccc(o2)C=NNC(=O)c3cccc(c3)F
CACTVS 3.385Fc1cccc(c1)C(=O)NN=Cc2oc(Sc3ccccn3)cc2
OpenEye OEToolkits 2.0.7c1ccnc(c1)Sc2ccc(o2)/C=N/NC(=O)c3cccc(c3)F
CACTVS 3.385Fc1cccc(c1)C(=O)N/N=C/c2oc(Sc3ccccn3)cc2
FormulaC17 H12 F N3 O2 S
Name3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
ChEMBLCHEMBL4530754
DrugBank
ZINC
PDB chain7f8h Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7f8h Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		T278 I279 F282 Y294 T421 W424 L425
Binding residue
(residue number reindexed from 1)		T17 I18 F21 Y33 T145 W148 L149
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.48: protein-tyrosine-phosphatase.
Gene Ontology
Molecular Function
GO:0004725 protein tyrosine phosphatase activity
Biological Process
GO:0007275 multicellular organism development

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Molecular Function
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Biological Process
External links
PDB RCSB:7f8h, PDBe:7f8h, PDBj:7f8h
PDBsum7f8h
PubMed34761455
UniProtO00167|EYA2_HUMAN Eyes absent homolog 2 (Gene Name=EYA2)

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