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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	CHEMBL228901
Molecular formula	C26H28N4O3
IUPAC name	(2R)-2-[(4-benzhydrylbenzoyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	444.535
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	3.4
Synonyms	BDBM50422992
Inchi Key	OUXMSYHZKGJHMD-JOCHJYFZSA-N
Inchi ID	InChI=1S/C26H28N4O3/c27-26(28)29-17-7-12-22(25(32)33)30-24(31)21-15-13-20(14-16-21)23(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-16,22-23H,7,12,17H2,(H,30,31)(H,32,33)(H4,27,28,29)/t22-/m1/s1
PubChem CID	44426481
ChEMBL	CHEMBL228901
IUPHAR	N/A
BindingDB	50422992
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	794.0 nM	PMID17467987	BindingDB
IC50	794.33 nM	PMID17467987	ChEMBL

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