Structure of PDB 8a0v Chain A Binding Site BS01

Receptor Information
>8a0v Chain A (length=208) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIASSRLRLLEYSAFMEVQRDPDTYSKHLFVHIGQPPLEAVDVRQIYDKF
PEKKGGLKELYEKGPPNAFFLVKFWADLNSTIQEGAFYGVSSQYSSADSM
TISVSTKVCSFGKQVVEKVETEYARLENGRFVYRIHRSPMCEYMINFIHK
LKHLPEKYMMNSVLENFTILQVVTSRDSQETLLVIAFVFEVSTSEHGAQH
HVYKLVKD
Ligand information
Ligand IDKNE
InChIInChI=1S/C15H14ClNO/c16-13-6-7-14-11(8-13)9-15(10-17,18-14)12-4-2-1-3-5-12/h1-8H,9-10,17H2/t15-/m1/s1
InChIKeyUSNHZUDDFFMUDB-OAHLLOKOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2(Cc3cc(ccc3O2)Cl)CN
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@@]2(Cc3cc(ccc3O2)Cl)CN
CACTVS 3.385NC[C@]1(Cc2cc(Cl)ccc2O1)c3ccccc3
CACTVS 3.385NC[C]1(Cc2cc(Cl)ccc2O1)c3ccccc3
FormulaC15 H14 Cl N O
Name[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine
ChEMBL
DrugBank
ZINC
PDB chain8a0v Chain A Residue 503 [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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PDB8a0v The First Class of Small Molecules Potently Disrupting the YAP-TEAD Interaction by Direct Competition.
Resolution2.699 Å
Binding residue
(original residue number in PDB)		K274 K298 F299 W300 V415 F416 E417
Binding residue
(residue number reindexed from 1)		K49 K73 F74 W75 V188 F189 E190
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8a0v, PDBe:8a0v, PDBj:8a0v
PDBsum8a0v
PubMed35950546
UniProtQ99594|TEAD3_HUMAN Transcriptional enhancer factor TEF-5 (Gene Name=TEAD3)

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