Structure of PDB 3ilu Chain B Binding Site BS02

Receptor Information
>3ilu Chain B (length=258) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIA
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLSEQGLLDKLKNK
WWYDKGEC
Ligand information
Ligand IDHFZ
InChIInChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)
InChIKeyDMDGGSIALPNSEE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F
OpenEye OEToolkits 1.7.0c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F
ACDLabs 11.02FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N
FormulaC8 H8 F3 N3 O4 S2
Name6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
ChEMBLCHEMBL1763
DrugBankDB00774
ZINCZINC000000897225
PDB chain3ilu Chain B Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ilu Probing the allosteric modulator binding site of GluR2 with thiazide derivatives
Resolution2.003 Å
Binding residue
(original residue number in PDB)		K104 P105 M107 S108 L239 S242
Binding residue
(residue number reindexed from 1)		K101 P102 M104 S105 L236 S239
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:3ilu, PDBe:3ilu, PDBj:3ilu
PDBsum3ilu
PubMed19673491
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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