Structure of PDB 4lz7 Chain A Binding Site BS03

Receptor Information
>4lz7 Chain A (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
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNK
WWYDKGEC
Ligand information
Ligand ID1YW
InChIInChI=1S/C16H20FN3O2/c1-11(21)18-10-13-9-15(19-22-13)12-4-5-16(14(17)8-12)20-6-2-3-7-20/h4-5,8,13H,2-3,6-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyDTWBPWINMUHOOF-ZDUSSCGKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)NCC1CC(=NO1)c2ccc(c(c2)F)N3CCCC3
CACTVS 3.385CC(=O)NC[C@@H]1CC(=NO1)c2ccc(N3CCCC3)c(F)c2
OpenEye OEToolkits 1.7.6CC(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CCCC3
ACDLabs 12.01Fc2c(N1CCCC1)ccc(c2)C3=NOC(C3)CNC(=O)C
CACTVS 3.385CC(=O)NC[CH]1CC(=NO1)c2ccc(N3CCCC3)c(F)c2
FormulaC16 H20 F N3 O2
NameN-({(5S)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide
ChEMBLCHEMBL3109785
DrugBank
ZINCZINC000033967816
PDB chain4lz7 Chain C Residue 804 [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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PDB4lz7 Discovery and Characterization of a Novel Dihydroisoxazole Class of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) Receptor Potentiators.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		P494 M496 S497
Binding residue
(residue number reindexed from 1)		P102 M104 S105
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:4lz7, PDBe:4lz7, PDBj:4lz7
PDBsum4lz7
PubMed24215237
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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