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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL3342676
Molecular formula	C22H28N4O3S
IUPAC name	(2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethylsulfanyl)acetyl]amino]pentanoic acid
Molecular weight	428.551
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	2.4
Synonyms	(2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethylsulfanyl)acetyl]amino]pentanoic acid GTPL8384 BDBM50028698 compound 4 [PMID: 25259874] SCHEMBL18442640 D01QQD [ Show all ]
Inchi Key	OVJFQPIFXZBDKN-IBGZPJMESA-N
Inchi ID	InChI=1S/C22H28N4O3S/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1
PubChem CID	91827355
ChEMBL	CHEMBL3342676
IUPHAR	8384
BindingDB	50028698
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	0.8 nM	PMID25259874	BindingDB
IC50	0.8 nM	PMID25259874	ChEMBL
IC50	7.9 nM	PMID25259874	BindingDB
IC50	7.943 nM	PMID25259874	ChEMBL
IC50	8.0 nM	PMID25259874	BindingDB
IC50	8.0 nM	PMID25259874	ChEMBL
IC50	794.0 nM	PMID25259874	BindingDB
IC50	794.33 nM	PMID25259874	ChEMBL
IC50	1300.0 nM	PMID25259874	IUPHAR

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