Structure of PDB 8ue9 Chain B Binding Site BS01

Receptor Information
>8ue9 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
EKFLRAHPCVSDQELDELIQQIVAAINAGIIPLGASSNQVSHWDLGCSFF
FAGTVITTIGFGNISPRTEGGKIFCIIYALLGIPLFGFLLAGVGDQLGTI
FGKGIAKVEDTFIKWNVSQTKIRIISTIIFILFGCVLFVALPAVIFKHIE
GWSALDAIYFVVITLTTIGFGDYVAGGSDIEYLDFYKPVVWFWILVGLAY
FAAVLSMIGDWLRVIAKKTKEAVGEFRAHAAE
Ligand information
Ligand IDWUU
InChIInChI=1S/C18H14Cl2N2O3/c19-13-4-1-12(15(20)9-13)10-21-18(25)11-2-5-14(6-3-11)22-16(23)7-8-17(22)24/h1-6,9H,7-8,10H2,(H,21,25)
InChIKeyYIKFWSGXLMFIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)NCc2ccc(cc2Cl)Cl)N3C(=O)CCC3=O
ACDLabs 12.01Clc1ccc(CNC(=O)c2ccc(cc2)N2C(=O)CCC2=O)c(Cl)c1
CACTVS 3.385Clc1ccc(CNC(=O)c2ccc(cc2)N3C(=O)CCC3=O)c(Cl)c1
FormulaC18 H14 Cl2 N2 O3
NameN-[(2,4-dichlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
ChEMBL
DrugBank
ZINC
PDB chain8ue9 Chain B Residue 404 [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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PDB8ue9 Structure of Trek-1(S131C mutant) with ML335
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C131 F134 G137 A259 G260 K271 W275
Binding residue
(residue number reindexed from 1)		C97 F100 G103 A225 G226 K237 W241
Annotation score1
External links
PDB RCSB:8ue9, PDBe:8ue9, PDBj:8ue9
PDBsum8ue9
PubMed
UniProtP97438|KCNK2_MOUSE Potassium channel subfamily K member 2 (Gene Name=Kcnk2)

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