Structure of PDB 5zg0 Chain A Binding Site BS03

Receptor Information
>5zg0 Chain A (length=260) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYK
LTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDF
SKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKI
AVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGIATPKGSSLRNAVNLAVLKLNEQGLLDKLKN
KWWYDKGECG
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 B Residue 1001 [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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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)		P515 S518 K751
Binding residue
(residue number reindexed from 1)		P103 S106 K216
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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