Structure of PDB 8pon Chain A Binding Site BS01

Receptor Information
>8pon Chain A (length=200) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLGTARLQLVEFSAFVEPPQRHLFVHISQHPPLESVDVRQIYDKFPEKKG
GLRELYDRGPPHAFFLVKFWADLNWSSGGFYGVSSQYESLEHMTLTCSSK
VCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVNFLHKLRQLPER
YMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVSTSERGAQHHIYRLVR
Ligand information
Ligand IDZUT
InChIInChI=1S/C20H16FNO3/c21-15-9-10-18(20(23)24)19(11-15)22-16-7-4-8-17(12-16)25-13-14-5-2-1-3-6-14/h1-12,22H,13H2,(H,23,24)
InChIKeySPDQLJLHAQECOP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2cccc(c2)Nc3cc(ccc3C(=O)O)F
CACTVS 3.385OC(=O)c1ccc(F)cc1Nc2cccc(OCc3ccccc3)c2
FormulaC20 H16 F N O3
Name4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid
ChEMBL
DrugBank
ZINC
PDB chain8pon 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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PDB8pon Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F233 V329 S345 K346 V347 K357 M379 C380 L383 I408
Binding residue
(residue number reindexed from 1)		F12 V83 S99 K100 V101 K111 M133 C134 L137 I162
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8pon, PDBe:8pon, PDBj:8pon
PDBsum8pon
PubMed37770003
UniProtQ15562|TEAD2_HUMAN Transcriptional enhancer factor TEF-4 (Gene Name=TEAD2)

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