Structure of PDB 8iyx Chain C Binding Site BS01

Receptor Information
>8iyx Chain C (length=266) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLLSTVLTTSYSVIFIVGLVGNIIALYVFLGIHRKRNSIQIYLLNVAIAD
LLLIFCLPFRIMYHINQNKWTLGVILCKVVGTLFYMNMYISIILLGFISL
DRYIKINTTKQSIYVCCIVWMLALGGFLTMIILTLKKGGHNSTMCFHYRD
KHNAKGEAIFNFILVVMFWLIFLLIILSYIKIGYATTARNSFIVLIIFTI
CFVPYHAFRFIYISSQLNVSSCYWKEIVHKTNEIMLVLSSFNSCLDPVMY
FLMSSNIRKIMCQLLF
Ligand information
Ligand IDS6R
InChIInChI=1S/C34H31ClN2O5/c35-29-8-4-7-28(22-29)26-11-13-27(14-12-26)32(39)37-19-17-34(18-20-37,33(40)41)36-31(38)21-24-9-15-30(16-10-24)42-23-25-5-2-1-3-6-25/h1-16,22H,17-21,23H2,(H,36,38)(H,40,41)
InChIKeyGRMOWKNKIVEDRP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2ccc(cc2)CC(=O)NC3(CCN(CC3)C(=O)c4ccc(cc4)c5cccc(c5)Cl)C(=O)O
CACTVS 3.385OC(=O)C1(CCN(CC1)C(=O)c2ccc(cc2)c3cccc(Cl)c3)NC(=O)Cc4ccc(OCc5ccccc5)cc4
FormulaC34 H31 Cl N2 O5
Name1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8iyx Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8iyx Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Resolution3.34 Å
Binding residue
(original residue number in PDB)		T132 Y135 Y139 I143 F147 L181 G185
Binding residue
(residue number reindexed from 1)		T82 Y85 Y89 I93 F97 L122 G126
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:8iyx, PDBe:8iyx, PDBj:8iyx
PDBsum8iyx
PubMed37733739
UniProtQ9UPC5|GPR34_HUMAN Probable G-protein coupled receptor 34 (Gene Name=GPR34)

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