Structure of PDB 8pom Chain B Binding Site BS01

Receptor Information
>8pom Chain B (length=210) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWQARGLGTARLQLVEFSAFVEPPDAVDSYQRHLFVHISQHPPLESVDVR
QIYDKFPEKKGGLRELYDRGPPHAFFLVKFWADLNWSGGFYGVSSQYESL
EHMTLTCSSKVCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVNF
LHKLRQLPERYMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVSTSERG
AQHHIYRLVR
Ligand information
Ligand IDZUP
InChIInChI=1S/C20H18N2O3/c23-20(24)18-10-5-12-21-19(18)22-16-8-4-9-17(14-16)25-13-11-15-6-2-1-3-7-15/h1-10,12,14H,11,13H2,(H,21,22)(H,23,24)
InChIKeyRPAUBABQNGCBRR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccnc1Nc2cccc(OCCc3ccccc3)c2
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCOc2cccc(c2)Nc3c(cccn3)C(=O)O
FormulaC20 H18 N2 O3
Name2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8pom 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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PDB8pom Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		F233 A235 A304 S345 V347 M379 C380 F406 I408
Binding residue
(residue number reindexed from 1)		F17 A19 A82 S109 V111 M143 C144 F170 I172
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8pom, PDBe:8pom, PDBj:8pom
PDBsum8pom
PubMed37770003
UniProtQ15562|TEAD2_HUMAN Transcriptional enhancer factor TEF-4 (Gene Name=TEAD2)

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