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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL319113
Molecular formula	C23H20F2N4
IUPAC name	1-N,3-N-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-diimine
Molecular weight	390.438
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM50105665 1,3-Bis-[(Z)-2-(4-fluoro-phenyl)-ethylimino]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
Inchi Key	KVDAVLKIDYQUEX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20F2N4/c24-18-5-1-16(2-6-18)9-13-27-22-20-11-12-26-15-21(20)23(29-22)28-14-10-17-3-7-19(25)8-4-17/h1-8,11-12,15H,9-10,13-14H2,(H,27,28,29)
PubChem CID	136110896
ChEMBL	CHEMBL319113
IUPHAR	N/A
BindingDB	50105665
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	13400.0 nM	PMID11597407	BindingDB,ChEMBL

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