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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL233028
Molecular formula	C27H33F2N3O2
IUPAC name	2-(4,4-difluorocyclohexyl)-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
Molecular weight	469.577
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.2
Synonyms	BDBM50423068
Inchi Key	ICHRXXYYJYXFNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H33F2N3O2/c28-27(29)14-10-22(11-15-27)25(21-6-2-1-3-7-21)26(34)31-23-12-17-32(18-13-23)24(33)9-8-20-5-4-16-30-19-20/h1-7,16,19,22-23,25H,8-15,17-18H2,(H,31,34)
PubChem CID	44430527
ChEMBL	CHEMBL233028
IUPHAR	N/A
BindingDB	50423068
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	630.96 nM	PMID17459702	ChEMBL
IC50	631.0 nM	PMID17459702	BindingDB

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