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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.
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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	CHEMBL1170638
Molecular formula	C34H57N9O8
IUPAC name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	719.885
Hydrogen bond acceptor	10
Hydrogen bond donor	10
XlogP	-2.7
Synonyms	BDBM50322649 (2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinopropyl)-11-((R)-1-hydroxyethyl)-8,14-diisobutyl-5-methyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecan-1-oic acid
Inchi Key	OBDAANRZAJHREA-XCPBJYSRSA-N
Inchi ID	InChI=1S/C34H57N9O8/c1-18(2)15-25(30(47)39-20(5)28(45)40-24(33(50)51)13-10-14-38-34(36)37)42-32(49)27(21(6)44)43-31(48)26(16-19(3)4)41-29(46)23(35)17-22-11-8-7-9-12-22/h7-9,11-12,18-21,23-27,44H,10,13-17,35H2,1-6H3,(H,39,47)(H,40,45)(H,41,46)(H,42,49)(H,43,48)(H,50,51)(H4,36,37,38)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
PubChem CID	46911429
ChEMBL	CHEMBL1170638
IUPHAR	N/A
BindingDB	50322649
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	316.23 nM	PMID20527893	ChEMBL
EC50	320.0 nM	PMID20527893, PMID26522948	BindingDB,ChEMBL
IC50	41.69 nM	PMID20527893	ChEMBL
IC50	42.0 nM	PMID20527893	BindingDB,ChEMBL

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