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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL3342683
Molecular formula	C29H29N5O4
IUPAC name	(2S)-2-[(2-benzhydryl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	511.582
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	3.8
Synonyms	BDBM50028777 SCHEMBL16154206
Inchi Key	DAFWJIQCPWKKEK-QFIPXVFZSA-N
Inchi ID	InChI=1S/C29H29N5O4/c30-29(31)32-18-10-17-22(28(36)37)33-26(35)25-24(21-15-8-3-9-16-21)34-27(38-25)23(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-9,11-16,22-23H,10,17-18H2,(H,33,35)(H,36,37)(H4,30,31,32)/t22-/m0/s1
PubChem CID	101886252
ChEMBL	CHEMBL3342683
IUPHAR	N/A
BindingDB	50028777
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	100.0 nM	PMID25259874	BindingDB,ChEMBL
IC50	110.0 nM	PMID25259874	BindingDB,ChEMBL
IC50	1995.0 nM	PMID25259874	BindingDB
IC50	1995.26 nM	PMID25259874	ChEMBL
IC50	2000.0 nM	PMID25259874	BindingDB,ChEMBL

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