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BioLiP

Structure of PDB 7cnl Chain C Binding Site BS01

Receptor Information
>7cnl Chain C (length=206) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTIASSRLRLLEYSAFMEVQRDPDTYSKHLFVHIGQDPPLEAVDVRQIYD
KFPEKKGGLKELYEKGPPNAFFLVKFWADLNSPGAFYGVSSQYSSADSMT
ISVSTKVCSFGKQVVEKVETEYARLENGRFVYRIHRSPMCEYMINFIHKL
KHLPEKYMMNSVLENFTILQVVTSRDSQETLLVIAFVFEVSTSEHGAQHH
VYKLVK
Ligand information
Ligand IDG9O
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-17/h17H,2-13H2,1H3,(H,15,16)
InChIKeyXHKBEIYZVFBVAM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCCCCCCCCCC(=O)NO
FormulaC14 H29 N O2
NameN-oxidanyltetradecanamide
ChEMBLCHEMBL1894226
DrugBank
ZINCZINC000072141055
PDB chain7cnl Chain C 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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PDB7cnl Small Molecule Inhibitors of TEAD Auto-palmitoylation Selectively Inhibit Proliferation and Tumor Growth of NF2 -deficient Mesothelioma.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		A232 T333 K345 M367 C368 M371
Binding residue
(residue number reindexed from 1)		A15 T105 K117 M139 C140 M143
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7cnl, PDBe:7cnl, PDBj:7cnl
PDBsum7cnl
PubMed33850002
UniProtQ99594|TEAD3_HUMAN Transcriptional enhancer factor TEF-5 (Gene Name=TEAD3)

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