Structure of PDB 4iy6 Chain A Binding Site BS01

Receptor Information
>4iy6 Chain A (length=263) 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
KNKWWYDKGECGS
Ligand information
Ligand IDMQR
InChIInChI=1S/C15H17N3O/c1-11-3-2-8-18(10-11)15(19)12-4-5-13-14(9-12)17-7-6-16-13/h4-7,9,11H,2-3,8,10H2,1H3/t11-/m1/s1
InChIKeyHFURVWIZXOIASJ-LLVKDONJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1CCCN(C1)C(=O)c2ccc3c(c2)nccn3
ACDLabs 12.01O=C(c2cc1nccnc1cc2)N3CCCC(C)C3
OpenEye OEToolkits 1.7.6C[C@@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3
CACTVS 3.370C[CH]1CCCN(C1)C(=O)c2ccc3nccnc3c2
CACTVS 3.370C[C@@H]1CCCN(C1)C(=O)c2ccc3nccnc3c2
FormulaC15 H17 N3 O
Name[(3R)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone
ChEMBL
DrugBank
ZINC
PDB chain4iy6 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4iy6 Structural analysis of the positive AMPA receptor modulators CX516 and Me-CX516 in complex with the GluA2 ligand-binding domain
Resolution1.72 Å
Binding residue
(original residue number in PDB)		P105 F106 S108 S217 K218
Binding residue
(residue number reindexed from 1)		P105 F106 S108 S217 K218
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:4iy6, PDBe:4iy6, PDBj:4iy6
PDBsum4iy6
PubMed23999288
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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