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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	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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