Structure of PDB 6uyc Chain A Binding Site BS01

Receptor Information
>6uyc Chain A (length=211) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWQARGLGTARLQLVEFSAFVEPPDAVDSYQRHLFVHISQHGAPPLESVD
VRQIYDKFPEKKGGLRELYDRGPPHAFFLVKFWADLNWGGFYGVSSQYES
LEHMTLTCSSKVCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVN
FLHKLRQLPERYMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVSTSER
GAQHHIYRLVR
Ligand information
Ligand IDQLV
InChIInChI=1S/C15H20F2N2O3S/c1-22-14-12(9-13(10-18-14)19-23(2,20)21)4-3-11-5-7-15(16,17)8-6-11/h3-4,9-11,19H,5-8H2,1-2H3/b4-3+
InChIKeyKJXYCXXAVTYSCU-ONEGZZNKSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ncc(N[S](C)(=O)=O)cc1/C=C/C2CCC(F)(F)CC2
ACDLabs 12.01c2(cnc(OC)c([C@H]=[C@H]C1CCC(CC1)(F)F)c2)NS(C)(=O)=O
OpenEye OEToolkits 2.0.7COc1c(cc(cn1)NS(=O)(=O)C)C=CC2CCC(CC2)(F)F
CACTVS 3.385COc1ncc(N[S](C)(=O)=O)cc1C=CC2CCC(F)(F)CC2
OpenEye OEToolkits 2.0.7COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F
FormulaC15 H20 F2 N2 O3 S
NameN-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide
ChEMBL
DrugBank
ZINC
PDB chain6uyc 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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PDB6uyc Small Molecule Dysregulation of TEAD Lipidation Induces a Dominant-Negative Inhibition of Hippo Pathway Signaling.
Resolution1.658 Å
Binding residue
(original residue number in PDB)		F233 V329 L383 L387 I408 Q410 Y426 F428
Binding residue
(residue number reindexed from 1)		F17 V94 L148 L152 I173 Q175 Y191 F193
Annotation score1
Binding affinityMOAD: Kd=229nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6uyc, PDBe:6uyc, PDBj:6uyc
PDBsum6uyc
PubMed32579935
UniProtQ15562|TEAD2_HUMAN Transcriptional enhancer factor TEF-4 (Gene Name=TEAD2)

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