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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	CHEMBL394538
Molecular formula	C18H22N4O5
IUPAC name	(2R)-5-(diaminomethylideneamino)-2-[[5-(3-methoxyphenyl)furan-2-carbonyl]amino]pentanoic acid
Molecular weight	374.397
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	1.0
Synonyms	BDBM50422990
Inchi Key	NLTNSAPSWHBRGB-CYBMUJFWSA-N
Inchi ID	InChI=1S/C18H22N4O5/c1-26-12-5-2-4-11(10-12)14-7-8-15(27-14)16(23)22-13(17(24)25)6-3-9-21-18(19)20/h2,4-5,7-8,10,13H,3,6,9H2,1H3,(H,22,23)(H,24,25)(H4,19,20,21)/t13-/m1/s1
PubChem CID	44426459
ChEMBL	CHEMBL394538
IUPHAR	N/A
BindingDB	50422990
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	316.0 nM	PMID17467987	BindingDB
IC50	316.23 nM	PMID17467987	ChEMBL

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