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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	CHEMBL265866
Molecular formula	C17H18ClFN4O4
IUPAC name	(2R)-2-[[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	396.803
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	1.8
Synonyms	BDBM50423006
Inchi Key	FBNZRFLYJMGQAK-GFCCVEGCSA-N
Inchi ID	InChI=1S/C17H18ClFN4O4/c18-10-8-9(3-4-11(10)19)13-5-6-14(27-13)15(24)23-12(16(25)26)2-1-7-22-17(20)21/h3-6,8,12H,1-2,7H2,(H,23,24)(H,25,26)(H4,20,21,22)/t12-/m1/s1
PubChem CID	44426464
ChEMBL	CHEMBL265866
IUPHAR	N/A
BindingDB	50423006
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	199.53 nM	PMID17467987	ChEMBL
IC50	200.0 nM	PMID17467987	BindingDB

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