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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	CHEMBL396030
Molecular formula	C27H32F3N3O2
IUPAC name	2-cyclohexyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-2-(3,4,5-trifluorophenyl)acetamide
Molecular weight	487.567
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.1
Synonyms	BDBM50423101
Inchi Key	KGVRKQKEMBCJOV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H32F3N3O2/c28-22-15-20(16-23(29)26(22)30)25(19-6-2-1-3-7-19)27(35)32-21-10-13-33(14-11-21)24(34)9-8-18-5-4-12-31-17-18/h4-5,12,15-17,19,21,25H,1-3,6-11,13-14H2,(H,32,35)
PubChem CID	44430549
ChEMBL	CHEMBL396030
IUPHAR	N/A
BindingDB	50423101
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
EC50	794.33 nM	PMID17459702	ChEMBL
IC50	100.0 nM	PMID17459702	BindingDB,ChEMBL

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