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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	CHEMBL479557
Molecular formula	C26H31N3O2
IUPAC name	[3-[[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]amino]pyridin-4-yl]methanol
Molecular weight	417.553
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.0
Synonyms	BDBM50251461 SCHEMBL13943975 (3-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-ylamino)pyridin-4-yl)methanol
Inchi Key	APBZRDZUJOBALE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H31N3O2/c1-4-17-8-6-9-18(5-2)25(17)22-14-24(31-3)26-20(28-22)10-7-11-21(26)29-23-15-27-13-12-19(23)16-30/h6,8-9,12-15,21,29-30H,4-5,7,10-11,16H2,1-3H3
PubChem CID	25191129
ChEMBL	CHEMBL479557
IUPHAR	N/A
BindingDB	50251461
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	3500.0 nM	PMID18595693	BindingDB,ChEMBL

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