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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	CHEMBL94579
Molecular formula	C27H29N3O
IUPAC name	5-methoxy-1-N,3-N-bis[2-(4-methylphenyl)ethyl]isoindole-1,3-diimine
Molecular weight	411.549
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.6
Synonyms	BDBM50105658 N,N'-Bis(4-methylphenethyl)-5-methoxyisoindoline-1,3-diimine 5-Methoxy-1,3-bis-[(Z)-2-p-tolyl-ethylimino]-2,3-dihydro-1H-isoindole
Inchi Key	FZBLHXZTCWYRSV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H29N3O/c1-19-4-8-21(9-5-19)14-16-28-26-24-13-12-23(31-3)18-25(24)27(30-26)29-17-15-22-10-6-20(2)7-11-22/h4-13,18H,14-17H2,1-3H3,(H,28,29,30)
PubChem CID	136110890
ChEMBL	CHEMBL94579
IUPHAR	N/A
BindingDB	50105658
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	12550.0 nM	PMID11597407	BindingDB,ChEMBL

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