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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	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	N,N'-Bis(4-chlorophenethyl)isoindoline-1,3-diimine 1,3-Bis-[(Z)-2-(4-chloro-phenyl)-ethylimino]-2,3-dihydro-1H-isoindole BDBM50105657
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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