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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	CHEMBL1170044
Molecular formula	C34H54N10O8
IUPAC name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	730.868
Hydrogen bond acceptor	10
Hydrogen bond donor	9
XlogP	-4.9
Synonyms	BDBM50322630 (S)-2-((S)-2-((S)-2-((S)-1-((S)-5-amino-2-((S)-2-amino-3-phenylpropanamido)-5-oxopentanoyl)pyrrolidine-2-carboxamido)-4-methylpentanamido)propanamido)-5-guanidinopentanoic acid
Inchi Key	JJZBPNOCGWGMOK-YNAZAZDCSA-N
Inchi ID	InChI=1S/C34H54N10O8/c1-19(2)17-25(30(48)40-20(3)28(46)42-24(33(51)52)11-7-15-39-34(37)38)43-31(49)26-12-8-16-44(26)32(50)23(13-14-27(36)45)41-29(47)22(35)18-21-9-5-4-6-10-21/h4-6,9-10,19-20,22-26H,7-8,11-18,35H2,1-3H3,(H2,36,45)(H,40,48)(H,41,47)(H,42,46)(H,43,49)(H,51,52)(H4,37,38,39)/t20-,22-,23-,24-,25-,26-/m0/s1
PubChem CID	49799094
ChEMBL	CHEMBL1170044
IUPHAR	N/A
BindingDB	50322630
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	5011.87 nM	PMID20527893	ChEMBL
EC50	5300.0 nM	PMID20527893	BindingDB,ChEMBL

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