Structure of PDB 8poj Chain A Binding Site BS01

Receptor Information
>8poj Chain A (length=189) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLGTARLQLVEFSAFVEPRHLFVHISQPLESVDVRQIYDKFPELRELYDR
GPPHAFFLVKFWADLNWGFYGVSSQYESLEHMTLTCSSKVCSFGKQVVEK
VETERAQLEDGRFVYRLLRSPMCEYLVNFLHKLRQLPERYMMNSVLENFT
ILQVVTNRDTQELLLCTAYVFEVSTSERGAQHHIYRLVR
Ligand information
Ligand IDZUL
InChIInChI=1S/C19H14FNO2/c20-15-9-10-17(19(22)23)18(12-15)21-16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-12,21H,(H,22,23)
InChIKeyJGUSPMKKPPHSQY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cccc(c2)Nc3cc(ccc3C(=O)O)F
CACTVS 3.385OC(=O)c1ccc(F)cc1Nc2cccc(c2)c3ccccc3
FormulaC19 H14 F N O2
Name4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid
ChEMBL
DrugBank
ZINC
PDB chain8poj Chain A 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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PDB8poj Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		F233 V329 S345 K346 V347 V355 K357 M379 C380 I408 F428
Binding residue
(residue number reindexed from 1)		F12 V72 S88 K89 V90 V98 K100 M122 C123 I151 F171
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8poj, PDBe:8poj, PDBj:8poj
PDBsum8poj
PubMed37770003
UniProtQ15562|TEAD2_HUMAN Transcriptional enhancer factor TEF-4 (Gene Name=TEAD2)

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