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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	CHEMBL97335
Molecular formula	C24H21Cl2N3
IUPAC name	1-N,3-N-bis[2-(3-chlorophenyl)ethyl]isoindole-1,3-diimine
Molecular weight	422.353
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	6.1
Synonyms	BDBM50105666 N,N'-Bis(3-chlorophenethyl)isoindoline-1,3-diimine 1,3-Bis-[(Z)-2-(3-chloro-phenyl)-ethylimino]-2,3-dihydro-1H-isoindole
Inchi Key	ICHVWCGMMGNCCF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H21Cl2N3/c25-19-7-3-5-17(15-19)11-13-27-23-21-9-1-2-10-22(21)24(29-23)28-14-12-18-6-4-8-20(26)16-18/h1-10,15-16H,11-14H2,(H,27,28,29)
PubChem CID	136110897
ChEMBL	CHEMBL97335
IUPHAR	N/A
BindingDB	50105666
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	7480.0 nM	PMID11597407	BindingDB,ChEMBL
Inhibition	28.0 %	PMID11597407	ChEMBL
Inhibition	55.0 %	PMID11597407	ChEMBL
Inhibition	72.0 %	PMID11597407	ChEMBL

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