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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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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	CHEMBL3646988
Molecular formula	C27H32N2
IUPAC name	2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine
Molecular weight	384.567
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	6.9
Synonyms	BDBM134555 SCHEMBL14663108 US8846656, 40-L
Inchi Key	CCTAROKFVVAOQE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H32N2/c1-6-21-9-8-10-22(7-2)27(21)25-16-19(4)23-17-29(14-13-24(23)28-25)26-12-11-18(3)15-20(26)5/h8-12,15-16H,6-7,13-14,17H2,1-5H3
PubChem CID	71240648
ChEMBL	CHEMBL3646988
IUPHAR	N/A
BindingDB	134555
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	180.0 nM	, None	BindingDB,ChEMBL

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