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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL3736325
Molecular formula	C29H36N6O6
IUPAC name	(2S)-5-(diaminomethylideneamino)-2-[[5-methyl-2-[(1S)-3-methyl-1-[(4-phenoxybenzoyl)amino]butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight	564.643
Hydrogen bond acceptor	8
Hydrogen bond donor	5
XlogP	3.2
Synonyms	SCHEMBL14952354
Inchi Key	MRWHTAYZLVTJFG-GOTSBHOMSA-N
Inchi ID	InChI=1S/C29H36N6O6/c1-17(2)16-23(34-25(36)19-11-13-21(14-12-19)41-20-8-5-4-6-9-20)27-35-24(18(3)40-27)26(37)33-22(28(38)39)10-7-15-32-29(30)31/h4-6,8-9,11-14,17,22-23H,7,10,15-16H2,1-3H3,(H,33,37)(H,34,36)(H,38,39)(H4,30,31,32)/t22-,23-/m0/s1
PubChem CID	89570461
ChEMBL	CHEMBL3736325
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	32.0 %	PMID26522948	ChEMBL
Inhibition	68.0 %	PMID26522948	ChEMBL

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