Structure of PDB 2xx7 Chain C Binding Site BS01

Receptor Information
>2xx7 Chain C (length=260) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYK
LTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDF
SKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKI
AVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLSEQGLLDKLKN
KWWYDKGECG
Ligand information
Ligand ID1ND
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)17-15-5-1-2-6-16(15)25(23-17)14-9-7-13(8-10-14)18(26)24-11-3-4-12-24/h7-10H,1-6,11-12H2
InChIKeyPMXYSSZJPIWCHI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352FC(F)(F)c1nn(c2ccc(cc2)C(=O)N3CCCC3)c4CCCCc14
ACDLabs 12.01FC(F)(F)c1nn(c2c1CCCC2)c4ccc(C(=O)N3CCCC3)cc4
OpenEye OEToolkits 1.6.1c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4
FormulaC19 H20 F3 N3 O
Name1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE
ChEMBLCHEMBL1649659
DrugBank
ZINCZINC000008513638
PDB chain2xx7 Chain A Residue 310 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xx7 Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		P105 F106 S108 K218
Binding residue
(residue number reindexed from 1)		P103 F104 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:2xx7, PDBe:2xx7, PDBj:2xx7
PDBsum2xx7
PubMed21128618
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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