Structure of PDB 8qez Chain B Binding Site BS01

Receptor Information
>8qez Chain B (length=264) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFK
YKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITYVREEVI
DFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRS
KIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYI
EQRKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLSEQGLLDKL
KNKWWYDKGECGSG
Ligand information
Ligand IDUF5
InChIInChI=1S/C8H9ClN2O2S2/c9-7-3-6-8(14-7)15(12,13)10-4-11(6)5-1-2-5/h3,5,10H,1-2,4H2
InChIKeyPJOUJJTUKBFKPV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1sc2c(c1)N(CN[S]2(=O)=O)C3CC3
OpenEye OEToolkits 2.0.7c1c2c(sc1Cl)S(=O)(=O)NCN2C3CC3
FormulaC8 H9 Cl N2 O2 S2
Name6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide
ChEMBL
DrugBank
ZINC
PDB chain8qez Chain A Residue 310 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8qez Exploring thienothiadiazine dioxides as isosteric analogues of benzo- and pyridothiadiazine dioxides in the search of new AMPA and kainate receptor positive allosteric modulators.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		P105 S108 S217 K218 G219
Binding residue
(residue number reindexed from 1)		P105 S108 S217 K218 G219
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8qez, PDBe:8qez, PDBj:8qez
PDBsum8qez
PubMed38101041
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

[Back to BioLiP]