Structure of PDB 6s66 Chain B Binding Site BS01

Receptor Information
>6s66 Chain B (length=208) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WQARGLGTARLQLVEFSAFVEPPDAVDSYQRHLFVHISQPPLESVDVRQI
YDKFPEKKGGLRELYDRGPPHAFFLVKFWADLNWSGGFYGVSSQYESLEH
MTLTCSSKVCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVNFLH
KLRQLPERYMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVSTSERGAQ
HHIYRLVR
Ligand information
Ligand IDKWW
InChIInChI=1S/C19H18Cl2N4O/c20-16-7-6-14(10-17(16)21)18-15(12-25(24-18)9-8-22)19(26)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11,22H2,(H,23,26)
InChIKeySGRJJBWZENVDRI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN
CACTVS 3.385NCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
FormulaC19 H18 Cl2 N4 O
Name1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide
ChEMBLCHEMBL5086563
DrugBank
ZINC
PDB chain6s66 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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PDB6s66 Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		S349 F350 V354 Y382
Binding residue
(residue number reindexed from 1)		S111 F112 V116 Y144
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6s66, PDBe:6s66, PDBj:6s66
PDBsum6s66
PubMed34509860
UniProtQ15562|TEAD2_HUMAN Transcriptional enhancer factor TEF-4 (Gene Name=TEAD2)

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