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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.
Go to the GPCR page and check other ligands which interact with it.
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	CHEMBL234005
Molecular formula	C25H33N3O2S
IUPAC name	2-cyclohexyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-2-thiophen-3-ylacetamide
Molecular weight	439.618
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.5
Synonyms	BDBM50423067
Inchi Key	MDTOMNUAYIKKBL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H33N3O2S/c29-23(9-8-19-5-4-13-26-17-19)28-14-10-22(11-15-28)27-25(30)24(21-12-16-31-18-21)20-6-2-1-3-7-20/h4-5,12-13,16-18,20,22,24H,1-3,6-11,14-15H2,(H,27,30)
PubChem CID	44431783
ChEMBL	CHEMBL234005
IUPHAR	N/A
BindingDB	50423067
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	199.53 nM	PMID17459702	ChEMBL
IC50	200.0 nM	PMID17459702	BindingDB

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