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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	CHEMBL228635
Molecular formula	C23H22N4O5
IUPAC name	(2R)-5-(diaminomethylideneamino)-2-[(5-dibenzofuran-4-ylfuran-2-carbonyl)amino]pentanoic acid
Molecular weight	434.452
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	2.8
Synonyms	BDBM50422993
Inchi Key	BBXRNOGBZXRXGU-MRXNPFEDSA-N
Inchi ID	InChI=1S/C23H22N4O5/c24-23(25)26-12-4-8-16(22(29)30)27-21(28)19-11-10-18(31-19)15-7-3-6-14-13-5-1-2-9-17(13)32-20(14)15/h1-3,5-7,9-11,16H,4,8,12H2,(H,27,28)(H,29,30)(H4,24,25,26)/t16-/m1/s1
PubChem CID	44426470
ChEMBL	CHEMBL228635
IUPHAR	N/A
BindingDB	50422993
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	3981.0 nM	PMID17467987	BindingDB
IC50	3981.07 nM	PMID17467987	ChEMBL

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