Structure of PDB 6s60 Chain B Binding Site BS01

Receptor Information
>6s60 Chain B (length=214) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWQARGLGTARLQLVEFSAFVEPPDAVDSYQRHLFVHISQHCGAPPLESV
DVRQIYDKFPEKKGGLRELYDRGPPHAFFLVKFWADLNWSSGGFYGVSSQ
YESLEHMTLTCSSKVCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEY
LVNFLHKLRQLPERYMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVST
SERGAQHHIYRLVR
Ligand information
Ligand IDKX8
InChIInChI=1S/C21H19Cl2N3O3/c22-17-9-8-15(11-18(17)23)20-16(13-26(25-20)10-4-7-19(27)28)21(29)24-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2,(H,24,29)(H,27,28)
InChIKeyOVYIHVKAGNTCMO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCCC(=O)O
CACTVS 3.385OC(=O)CCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
FormulaC21 H19 Cl2 N3 O3
Name4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid
ChEMBLCHEMBL5089646
DrugBank
ZINC
PDB chain6s60 Chain B Residue 502 [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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PDB6s60 Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S349 V354 Y382 F386
Binding residue
(residue number reindexed from 1)		S117 V122 Y150 F154
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6s60, PDBe:6s60, PDBj:6s60
PDBsum6s60
PubMed34509860
UniProtQ15562|TEAD2_HUMAN Transcriptional enhancer factor TEF-4 (Gene Name=TEAD2)

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