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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	CHEMBL319332
Molecular formula	C24H23N3
IUPAC name	1-N,3-N-bis[(4-methylphenyl)methyl]isoindole-1,3-diimine
Molecular weight	353.469
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.0
Synonyms	AKOS003001139 1,3-Bis-[(Z)-4-methyl-benzylimino]-2,3-dihydro-1H-isoindole BDBM50105662 N,N'-Bis(4-methylbenzyl)isoindoline-1,3-diimine
Inchi Key	IHWLOJZRACXYEA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23N3/c1-17-7-11-19(12-8-17)15-25-23-21-5-3-4-6-22(21)24(27-23)26-16-20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3,(H,25,26,27)
PubChem CID	135418443
ChEMBL	CHEMBL319332
IUPHAR	N/A
BindingDB	50105662
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	1700.0 nM	PMID11597407	BindingDB,ChEMBL
Inhibition	30.0 %	PMID11597407	ChEMBL
Inhibition	61.0 %	PMID11597407	ChEMBL
Inhibition	64.0 %	PMID11597407	ChEMBL

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