Structure of PDB 8fww Chain C Binding Site BS03

Receptor Information
>8fww Chain C (length=420) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSLIVTTILEEPYVLFKKSDKPLYGNDRFEGYCIDLLRELSTILGFTYEI
RLVEDGKYGAQDDVNGQWNGMVRELIDHKADLAVAPLAITYVREKVIDFS
KPFMTLGISILYRKPNGTNPGVFSFLNPLSPDIWMYVLLACLGVSCVLFV
IARFSPYEWYNPHPCNPDSDVVENNFTLLNSFWFGVGALMQQGSELMPKA
LSTRIVGGIWWFFTLIIISSYTANLAAFLTVERMESPIDSADDLAKQTKI
EYGAVEDGATMTFFKKSKISTYDKMWAFMSSRRQSVLVKSNEEGIQRVLT
SDYAFLMESTTIEFVTQRNCNLTQIGGLIDSKGYGVGTPMGSPYRDKITI
AILQLQEEGKLHMMKEKWWRGNGCPEEESKEASALGVQNIGGIFIVLAAG
LVLSVFVAVGEFLYKSKKNA
Ligand information
Ligand ID6ZP
InChIInChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
InChIKeyPRMWGUBFXWROHD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4
CACTVS 3.385O=C1N(C=C(C=C1c2ccccc2C#N)c3ccccn3)c4ccccc4
ACDLabs 12.01N#Cc1ccccc1C3=CC(c2ncccc2)=CN(C3=O)c4ccccc4
FormulaC23 H15 N3 O
Name2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile
ChEMBLCHEMBL1214124
DrugBankDB08883
ZINCZINC000030691797
PDB chain8fww Chain C Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8fww Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		P550 S554 F555 N557 P558 N654 L655 F658
Binding residue
(residue number reindexed from 1)		P120 S124 F125 N127 P128 N224 L225 F228
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0015276 ligand-gated monoatomic ion channel activity
GO:0038023 signaling receptor activity
Biological Process
GO:0006811 monoatomic ion transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8fww, PDBe:8fww, PDBj:8fww
PDBsum8fww
PubMed36857176
UniProtP42260|GRIK2_RAT Glutamate receptor ionotropic, kainate 2 (Gene Name=Grik2)

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