Structure of PDB 8t6j Chain B Binding Site BS01

Receptor Information
>8t6j Chain B (length=767) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAVREQYGIQRVEAMLHT
LERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSLKKPIVGVI
GPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKTLFKYFMRVVPSDAQ
QARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMSAKEGICIAHSYK
IYSNAGEQSFDKLLKKLTSHLPKARVVACFCEGMTVRGLLMAMRRLGLAG
EFLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPE
TNHRNPWFQEFWQHRFQCRLEGFPQENSKYNKTCNSSLTLKTHHVQDSKM
GFVINAIYSMAYGLHNMQMSLCPGYAGLCDAMKPIDGRKLLESLMKTNFT
GVSGDTILFDENGDSPGRYEIMNFKEMGKDYFDYINVGSWDNGELKMDDD
EVWSKKSNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCTPCKENEYVFDEY
TCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVVFACLGLLATLFV
TVVFIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCLIAKPKQIYCYLQ
RIGIGLSPAMSYSALVTKTNRIARILFMSACAQLVIAFILICIQLGIIVA
LFIMEPPDIMHDYPSIREVYLICNTTNLGVVTPLGYNGLLILSCTFYAFK
TRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITMCFSVSLSA
TVALGCMFVPKVYIILA
Ligand information
Ligand IDYKU
InChIInChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)
InChIKeyBKUIZWILNWHFHD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N#Cc1cccc(c1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1
CACTVS 3.385O=C(Nc1cc(nn1c2ccccc2)c3ccccc3)c4cccc(c4)C#N
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cc(n(n2)c3ccccc3)NC(=O)c4cccc(c4)C#N
FormulaC23 H16 N4 O
Name3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
ChEMBLCHEMBL190270
DrugBank
ZINCZINC000003986698
PDB chain8t6j Chain B Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8t6j Step-wise activation of a Family C GPCR.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		S654 P655 L744 G748 I751 W785 F788 S805 V806 S809 A810
Binding residue
(residue number reindexed from 1)		S607 P608 L684 G688 I691 W725 F728 S745 V746 S749 A750
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
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:8t6j, PDBe:8t6j, PDBj:8t6j
PDBsum8t6j
PubMed38632403
UniProtP41594|GRM5_HUMAN Metabotropic glutamate receptor 5 (Gene Name=GRM5)

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