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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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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	CHEMBL313866
Molecular formula	C24H21Cl2N3
IUPAC name	1-N,3-N-bis[2-(4-chlorophenyl)ethyl]isoindole-1,3-diimine
Molecular weight	422.353
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	6.1
Synonyms	BDBM50105657 N,N'-Bis(4-chlorophenethyl)isoindoline-1,3-diimine 1,3-Bis-[(Z)-2-(4-chloro-phenyl)-ethylimino]-2,3-dihydro-1H-isoindole
Inchi Key	GRQFDMBWWXAYPS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H21Cl2N3/c25-19-9-5-17(6-10-19)13-15-27-23-21-3-1-2-4-22(21)24(29-23)28-16-14-18-7-11-20(26)12-8-18/h1-12H,13-16H2,(H,27,28,29)
PubChem CID	136110889
ChEMBL	CHEMBL313866
IUPHAR	N/A
BindingDB	50105657
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
IC50	7160.0 nM	PMID11597407	BindingDB
IC50	7160.0 nM	PMID11597407	ChEMBL
Inhibition	26.0 %	PMID11597407	ChEMBL
Inhibition	63.0 %	PMID11597407	ChEMBL

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