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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	C5a anaphylatoxin chemotactic receptor 1
Species	Homo sapiens (Human)
Gene	C5AR1
Synonym	complement component 5a receptor 1 complement C5a receptor C5A CD88 C5R1 C5aR1 C5AR C5a1 receptor C5a anaphylatoxin chemotactic receptor C5a-R [ Show all ]
Disease	Vasculitis Atopic dermatitis Inflammatory disease Rheumatoid arthritis
Length	350
Amino acid sequence	MDSFNYTTPDYGHYDDKDTLDLNTPVDKTSNTLRVPDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLSCLALPILFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPIWCQNFRGAGLAWIACAVAWGLALLLTIPSFLYRVVREEYFPPKVLCGVDYSHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSRRATRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIYVVAGQGFQGRLRKSLPSLLRNVLTEESVVRESKSFTRSTVDTMAQKTQAV
UniProt	P21730
Protein Data Bank	6c1r, 6c1q, 5o9h
GPCR-HGmod model	P21730
3D structure model	This structure is from PDB ID 6c1r.
BioLiP	BL0415511, BL0415514, BL0415513, BL0415512, BL0401194,BL0401195,BL0401196,
Therapeutic Target Database	T15439
ChEMBL	CHEMBL2373
IUPHAR	32
DrugBank	N/A

Ligand

Name	CHEMBL86661
Molecular formula	C20H17ClN2O2
IUPAC name	(E)-3-(2-chlorophenyl)-N-(4-methoxy-2-methylquinolin-6-yl)prop-2-enamide
Molecular weight	352.818
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.5
Synonyms	(E)-N-(4-Methoxy-2-methyl-6-quinolinyl)-2-chlorocinnamamide SCHEMBL8352826
Inchi Key	BEQAHAYZXLYPLS-JXMROGBWSA-N
Inchi ID	InChI=1S/C20H17ClN2O2/c1-13-11-19(25-2)16-12-15(8-9-18(16)22-13)23-20(24)10-7-14-5-3-4-6-17(14)21/h3-12H,1-2H3,(H,23,24)/b10-7+
PubChem CID	15133392
ChEMBL	CHEMBL86661
IUPHAR	N/A
BindingDB	N/A
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	<50.0 ug.mL-1	PMID1310118	ChEMBL

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