Structure of PDB 8j04 Chain D Binding Site BS02

Receptor Information
>8j04 Chain D (length=332) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNAFYRKLQNFLYNVLERPRGWAFIYHAYVFLLVFSCLVLSVFSTIKEYE
KSSEGALYILEIVTIVVFGVEYFVRIWAAGCCCRYRGWRGRLKFARKPFC
VIDIMVLIASIAVLASALRSLRFLQILRMIRMDRRGGTWKLLGSVVYAHS
KELVTAWYIGFLCLILASFLVYLAEKGENDHFDTYADALWWGLITLTTIG
YGDKYPQTWNGRLLAATFTLIGVSFFALPAGILGSGFALKVQEQHRQKHF
EKRRNPAAGLIQSAWRFYATNLSRTDLHSTWQYYERTVGLKVSIRAVCVM
RFLVSKRKFKESLRPYDVMDVIEQYSAGHLDM
Ligand information
Ligand ID9MF
InChIInChI=1S/C20H21FN2O2/c1-5-10-23(13-16-6-8-17(21)9-7-16)18-11-14(2)19(15(3)12-18)22-20(24)25-4/h1,6-9,11-12H,10,13H2,2-4H3,(H,22,24)
InChIKeyHXUBJZRAVCPBRH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1NC(=O)OC)C)N(CC#C)Cc2ccc(cc2)F
CACTVS 3.385COC(=O)Nc1c(C)cc(cc1C)N(CC#C)Cc2ccc(F)cc2
FormulaC20 H21 F N2 O2
Namemethyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate;
HN37
ChEMBLCHEMBL5180351
DrugBank
ZINC
PDB chain8j04 Chain D Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8j04 Ligand activation mechanisms of human KCNQ2 channel.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		W236 F240 F305 P308
Binding residue
(residue number reindexed from 1)		W157 F161 F226 P229
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005249 voltage-gated potassium channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006813 potassium ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8j04, PDBe:8j04, PDBj:8j04
PDBsum8j04
PubMed37857637
UniProtO43526|KCNQ2_HUMAN Potassium voltage-gated channel subfamily KQT member 2 (Gene Name=KCNQ2)

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