Structure of PDB 5zg0 Chain D Binding Site BS01

Receptor Information
>5zg0 Chain D (length=262) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSNKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFK
YKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVI
DFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRS
KIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYI
EQRKPCDTMKVGGNLDSKGYGIATPKGSSLRNAVNLAVLKLNEQGLLDKL
KNKWWYDKGECG
Ligand information
Ligand ID9C3
InChIInChI=1S/C16H18N2O3S/c1-12(2)21-14-7-5-13(6-8-14)15-4-3-9-18-10-11-22(19,20)17-16(15)18/h3-9,12H,10-11H2,1-2H3
InChIKeyFNMSASHKBXSERE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)Oc1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23
ACDLabs 12.01c3cc(C1=CC=CN2C1=NS(CC2)(=O)=O)ccc3OC(C)C
OpenEye OEToolkits 2.0.6CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3
FormulaC16 H18 N2 O3 S
Name9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
ChEMBL
DrugBank
ZINC
PDB chain5zg0 Chain C Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zg0 TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Resolution1.58 Å
Binding residue
(original residue number in PDB)		I502 P515 S518 K751 G752
Binding residue
(residue number reindexed from 1)		I92 P105 S108 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

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Molecular Function
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Cellular Component
External links
PDB RCSB:5zg0, PDBe:5zg0, PDBj:5zg0
PDBsum5zg0
PubMed30209408
UniProtP42262|GRIA2_HUMAN Glutamate receptor 2 (Gene Name=GRIA2)

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