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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	CHEMBL234100
Molecular formula	C27H32ClN3O2
IUPAC name	2-(2-chlorophenyl)-2-cyclohex-2-en-1-yl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
Molecular weight	466.022
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.7
Synonyms	BDBM50423100
Inchi Key	AUYZLYFQFBCESA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H32ClN3O2/c28-24-11-5-4-10-23(24)26(21-8-2-1-3-9-21)27(33)30-22-14-17-31(18-15-22)25(32)13-12-20-7-6-16-29-19-20/h2,4-8,10-11,16,19,21-22,26H,1,3,9,12-15,17-18H2,(H,30,33)
PubChem CID	44430546
ChEMBL	CHEMBL234100
IUPHAR	N/A
BindingDB	50423100
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	1995.0 nM	PMID17459702	BindingDB
IC50	1995.26 nM	PMID17459702	ChEMBL

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