Structure of PDB 6rv4 Chain D Binding Site BS06

Receptor Information
>6rv4 Chain D (length=259) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRQNVRTLALIVCTFTYLLVGAAVFDALESEPELIERQRLELRQQELRA
RYNLSQGGYEELERVVLRLKPHKAGVQWRFAGSFYFAITVITTIGYGHAA
PSTDGGKVFCMFYALLGIPLTLVMFQSLGERINTLVRYLLHRAKKGLGMA
DVSMANMVLIGFFSCISTLCIGAAAFSHYEHWTFFQAYYYCFITLTTIGF
GDYVALQKDQALQTQPQYVAFSFVYILTGLTVIGAFLNLVVLRFMTMNAE
DEKRDAENL
Ligand information
Ligand IDKKZ
InChIInChI=1S/C25H21ClF3N5O2/c26-18-9-7-17(8-10-18)23-20(34-11-2-1-5-21(34)31-23)16-32-12-14-33(15-13-32)24(35)19-4-3-6-22(30-19)36-25(27,28)29/h1-11H,12-16H2
InChIKeySIFMANNOUHDCIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccn2c(c1)nc(c2CN3CCN(CC3)C(=O)c4cccc(n4)OC(F)(F)F)c5ccc(cc5)Cl
CACTVS 3.385FC(F)(F)Oc1cccc(n1)C(=O)N2CCN(CC2)Cc3n4ccccc4nc3c5ccc(Cl)cc5
FormulaC25 H21 Cl F3 N5 O2
Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
ChEMBLCHEMBL5172358
DrugBank
ZINC
PDB chain6rv4 Chain D Residue 302 [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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PDB6rv4 A lower X-gate in TASK channels traps inhibitors within the vestibule.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		T93 I118 L122 L197 T198 T199 I235 L239
Binding residue
(residue number reindexed from 1)		T93 I118 L122 L195 T196 T197 I233 L237
Annotation score1
Binding affinityBindingDB: IC50=42.0nM
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6rv4, PDBe:6rv4, PDBj:6rv4
PDBsum6rv4
PubMed32499642
UniProtO14649|KCNK3_HUMAN Potassium channel subfamily K member 3 (Gene Name=KCNK3)

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