Structure of PDB 7cr2 Chain C Binding Site BS01

Receptor Information
>7cr2 Chain C (length=251) 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
E
Ligand information
Ligand IDFBX
InChIInChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
InChIKeyPCOBBVZJEWWZFR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F
CACTVS 3.385CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
FormulaC16 H18 F N3 O2
Nameethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;
Retigabine, Ezogabine
ChEMBLCHEMBL41355
DrugBankDB04953
ZINCZINC000000016154
PDB chain7cr2 Chain B Residue 801 [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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PDB7cr2 Molecular basis for ligand activation of the human KCNQ2 channel.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		L299 S303
Binding residue
(residue number reindexed from 1)		L220 S224
Annotation score1
Binding affinityBindingDB: EC50=350nM
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:7cr2, PDBe:7cr2, PDBj:7cr2
PDBsum7cr2
PubMed32884139
UniProtO43526|KCNQ2_HUMAN Potassium voltage-gated channel subfamily KQT member 2 (Gene Name=KCNQ2)

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