Structure of PDB 8uf6 Chain A Binding Site BS01

Receptor Information
>8uf6 Chain A (length=268) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KWKTVSTIFLVVVLYLIIGATVFKALEQPQEISQRTTIVIQREKFLRAHP
CVSDQELDELIQQIVAAINAGSHWDLGSSFFFAGTVITTIGFGNISPRTE
GGKIFCIIYALLGIPLFGFLLAGVGDQLGTIFGKGIAKVEDTFIKWNVSQ
TKIRIISTIIFILFGCVLFVALPAVIFKHIEGWSALDAIYFVVITLTTIG
FGDYVAGGSDIEYLDFYKPVVWFWILVGLAYFAAVLSMIGDWLRVIAKKT
KEAVGEFRAHAAEWTANV
Ligand information
Ligand IDWRZ
InChIInChI=1S/C17H16Cl2N2O2/c1-2-16(22)21-14-7-4-11(5-8-14)17(23)20-10-12-3-6-13(18)9-15(12)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyAZICPPMUYWAQMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl
ACDLabs 12.01Clc1cc(Cl)ccc1CNC(=O)c1ccc(NC(=O)CC)cc1
CACTVS 3.385CCC(=O)Nc1ccc(cc1)C(=O)NCc2ccc(Cl)cc2Cl
FormulaC17 H16 Cl2 N2 O2
NameN-[(2,4-dichlorophenyl)methyl]-4-propanamidobenzamide
ChEMBL
DrugBank
ZINC
PDB chain8uf6 Chain A Residue 401 [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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PDB8uf6 Structure of Trek-1(K2P2.1) with ML336
Resolution2.9 Å
Binding residue
(original residue number in PDB)		S131 F134 F145 V258 A259 G260 K271 W275
Binding residue
(residue number reindexed from 1)		S78 F81 F92 V205 A206 G207 K218 W222
Annotation score1
External links
PDB RCSB:8uf6, PDBe:8uf6, PDBj:8uf6
PDBsum8uf6
PubMed
UniProtP97438|KCNK2_MOUSE Potassium channel subfamily K member 2 (Gene Name=Kcnk2)

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