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Structure of PDB 8w4u Chain B Binding Site BS01

Receptor Information >8w4u Chain B (length=354) 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 RFLVSKRKFKESLRPYDVMDVIEQYSAGHLDMLSRIKSLQSRVDQIVGRG PAIT

Ligand information Ligand ID 9MF InChI InChI=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) InChIKey HXUBJZRAVCPBRH-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 2.0.7 Cc1cc(cc(c1NC(=O)OC)C)N(CC#C)Cc2ccc(cc2)F CACTVS 3.385 COC(=O)Nc1c(C)cc(cc1C)N(CC#C)Cc2ccc(F)cc2 Formula C20 H21 F N2 O2 Name methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate; HN37 ChEMBL CHEMBL5180351 DrugBank ZINC PDB chain 8w4u Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 8w4u Ligand activation mechanisms of human KCNQ2 channel. Resolution 3.3 Å Binding residue (original residue number in PDB) A235 W236 G239 F240 F304 F305 Binding residue (residue number reindexed from 1) A156 W157 G160 F161 F225 F226 Annotation score 1

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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