Structure of PDB 4lz7 Chain B Binding Site BS04

Receptor Information
>4lz7 Chain B (length=257) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLT
IVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFSK
PFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIAV
FDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQRK
PCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNKW
WYDKGEC
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 B Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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 F495 M496 S497 S729 K730
Binding residue
(residue number reindexed from 1)		P101 F102 M103 S104 S213 K214
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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