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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	CHEMBL410927
Molecular formula	C27H32N2O
IUPAC name	2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine
Molecular weight	400.566
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	6.5
Synonyms	(+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine BDBM50238586 SCHEMBL13925341 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine
Inchi Key	BGVMOAYPPKYPSF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
PubChem CID	25191388
ChEMBL	CHEMBL410927
IUPHAR	N/A
BindingDB	50238586
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	7900.0 nM	PMID18595693, PMID18378452	BindingDB,ChEMBL
Ki	680.0 nM	PMID18595693, PMID18378452	BindingDB,ChEMBL

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