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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	C3a anaphylatoxin chemotactic receptor
Species	Homo sapiens (Human)
Gene	C3AR1
Synonym	C3a anaphylatoxin chemotactic receptor C3a receptor C3AR anaphylatoxin C3a receptor complement component 3a receptor 1 C3a-R [ Show all ]
Disease	N/A
Length	482
Amino acid sequence	MASFSAETNSTDLLSQPWNEPPVILSMVILSLTFLLGLPGNGLVLWVAGLKMQRTVNTIWFLHLTLADLLCCLSLPFSLAHLALQGQWPYGRFLCKLIPSIIVLNMFASVFLLTAISLDRCLVVFKPIWCQNHRNVGMACSICGCIWVVAFVMCIPVFVYREIFTTDNHNRCGYKFGLSSSLDYPDFYGDPLENRSLENIVQPPGEMNDRLDPSSFQTNDHPWTVPTVFQPQTFQRPSADSLPRGSARLTSQNLYSNVFKPADVVSPKIPSGFPIEDHETSPLDNSDAFLSTHLKLFPSASSNSFYESELPQGFQDYYNLGQFTDDDQVPTPLVAITITRLVVGFLLPSVIMIACYSFIVFRMQRGRFAKSQSKTFRVAVVVVAVFLVCWTPYHIFGVLSLLTDPETPLGKTLMSWDHVCIALASANSCFNPFLYALLGKDFRKKARQSIQGILEAAFSEELTRSTHCPSNNVISERNSTTV
UniProt	Q16581
Protein Data Bank	N/A
GPCR-HGmod model	Q16581
3D structure model	This predicted structure model is from GPCR-EXP Q16581.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4761
IUPHAR	31
DrugBank	N/A

Ligand

Name	CHEMBL232029
Molecular formula	C28H37N3O2
IUPAC name	2-cyclohexyl-2-(2-methylphenyl)-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
Molecular weight	447.623
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.1
Synonyms	BDBM50423075
Inchi Key	CGPXBIDWYHMTGS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H37N3O2/c1-21-8-5-6-12-25(21)27(23-10-3-2-4-11-23)28(33)30-24-15-18-31(19-16-24)26(32)14-13-22-9-7-17-29-20-22/h5-9,12,17,20,23-24,27H,2-4,10-11,13-16,18-19H2,1H3,(H,30,33)
PubChem CID	44430536
ChEMBL	CHEMBL232029
IUPHAR	N/A
BindingDB	50423075
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2511.89 nM	PMID17459702	ChEMBL
IC50	2512.0 nM	PMID17459702	BindingDB

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