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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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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