Structure of PDB 6rv3 Chain C Binding Site BS06

Receptor Information
>6rv3 Chain C (length=258) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRQNVRTLALIVCTFTYLLVGAAVFDALESEPELIERQRLELRQQELRA
RYNLSQGGYEELERVVLRLKPHKAGVQWRFAGSFYFAITVITTIGYGHAA
PSTDGGKVFCMFYALLGIPLTLVMFQSLGERINTLVRYLLHRAKKGLGMR
RADVSMANMVLIGFFSCISTLCIGAAAFSHYEHWTFFQAYYYCFITLTTI
GFGDYVALQKDQALQTQPQYVAFSFVYILTGLTVIGAFLNLVVLRFMTMN
AEDEKRDA
Ligand information
Ligand IDKKQ
InChIInChI=1S/C25H22BrFN4O/c26-19-10-8-18(9-11-19)24-22(31-12-4-3-7-23(31)28-24)17-29-13-15-30(16-14-29)25(32)20-5-1-2-6-21(20)27/h1-12H,13-17H2
InChIKeyNABAWQRCDXXOMF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1ccccc1C(=O)N2CCN(CC2)Cc3n4ccccc4nc3c5ccc(Br)cc5
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)N2CCN(CC2)Cc3c(nc4n3cccc4)c5ccc(cc5)Br)F
FormulaC25 H22 Br F N4 O
Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
ChEMBLCHEMBL5189300
DrugBank
ZINC
PDB chain6rv3 Chain C Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rv3 A lower X-gate in TASK channels traps inhibitors within the vestibule.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		T92 L122 F125 L197 T199 L232 L239
Binding residue
(residue number reindexed from 1)		T92 L122 F125 L197 T199 L232 L239
Annotation score1
Binding affinityBindingDB: IC50=172nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005252 open rectifier potassium channel activity
GO:0005267 potassium channel activity
Biological Process
GO:0071805 potassium ion transmembrane transport
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6rv3, PDBe:6rv3, PDBj:6rv3
PDBsum6rv3
PubMed32499642
UniProtO14649|KCNK3_HUMAN Potassium channel subfamily K member 3 (Gene Name=KCNK3)

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