Structure of PDB 7oyj Chain B Binding Site BS01

Receptor Information
>7oyj Chain B (length=196) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARGLGTARLQLVEFSAFVEPPDAVDSYQRHLFVHISQHPPLESVDVRQLR
ELYDRGPPHAFFLVKFWADLNWSGGFYGVSSQYESLEHMTLTCSSKVCSF
GKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVNFLHKLRQLPERYMMN
SVLENFTILQVVTNRDTQELLLCTAYVFEVSTSERGAQHHIYRLVR
Ligand information
Ligand ID3DI
InChIInChI=1S/C9H9N3/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2,(H,11,12)
InChIKeySXPNWQIDNWGAEB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1cccc(c1)c2[nH]ncc2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)N)c2ccn[nH]2
FormulaC9 H9 N3
Name3-(1~{H}-pyrazol-5-yl)aniline;
3-(1H-pyrazol-5yl)aniline
ChEMBLCHEMBL5201189
DrugBank
ZINCZINC000004293774
PDB chain7oyj Chain B Residue 501 [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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PDB7oyj Toward the Design of Ligands Selective for the C-Terminal Domain of TEADs.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		P239 Q247 G324
Binding residue
(residue number reindexed from 1)		P20 Q28 G74
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7oyj, PDBe:7oyj, PDBj:7oyj
PDBsum7oyj
PubMed35389210
UniProtQ15562|TEAD2_HUMAN Transcriptional enhancer factor TEF-4 (Gene Name=TEAD2)

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