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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	CHEMBL409773
Molecular formula	C27H25Cl2N3O3
IUPAC name	2,7-dichloro-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-9H-xanthene-9-carboxamide
Molecular weight	510.415
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.6
Synonyms	BDBM50423087
Inchi Key	LSPGRTPRIJOMNA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H25Cl2N3O3/c28-18-4-6-23-21(14-18)26(22-15-19(29)5-7-24(22)35-23)27(34)31-20-9-12-32(13-10-20)25(33)8-3-17-2-1-11-30-16-17/h1-2,4-7,11,14-16,20,26H,3,8-10,12-13H2,(H,31,34)
PubChem CID	44430510
ChEMBL	CHEMBL409773
IUPHAR	N/A
BindingDB	50423087
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	630.96 nM	PMID17459702	ChEMBL
IC50	631.0 nM	PMID17459702	BindingDB
IC50	1584.89 nM	PMID17459702	ChEMBL
IC50	1585.0 nM	PMID17459702	BindingDB

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