Structure of PDB 8uf6 Chain B Binding Site BS01

Receptor Information
>8uf6 Chain B (length=282) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDSAINVMKWKTVSTIFLVVVLYLIIGATVFKALEQPQEISQRTTIVIQR
EKFLRAHPCVSDQELDELIQQIVAAINAGIIPLGASSNQVSHWDLGSSFF
FAGTVITTIGFGNISPRTEGGKIFCIIYALLGIPLFGFLLAGVGDQLGTI
FGKGIAKVEDTFIKWNVSQTKIRIISTIIFILFGCVLFVALPAVIFKHIE
GWSALDAIYFVVITLTTIGFGDYVAGGSDIEYLDFYKPVVWFWILVGLAY
FAAVLSMIGDWLRVIAKKTKEAVGEFRAHAAE
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 B 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 G137 T138 F145 I148 G260 K271 W275 I278
Binding residue
(residue number reindexed from 1)		S97 F100 G103 T104 F111 I114 G226 K237 W241 I244
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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