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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL87370
Molecular formula	C20H16F3N3O
IUPAC name	(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Molecular weight	371.363
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.1
Synonyms	SCHEMBL6204654 (E)-N-(4-Amino-2-methyl-6-quinolinyl)-4-trifluoromethylcinnamamide SCHEMBL6204655 BDBM50193649 N-(4-Amino-2-methyl-quinolin-6-yl)-3-(4-trifluoromethyl-phenyl)-acrylamide (E)-N-(4-amino-2-methylquinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)acrylamide [ Show all ]
Inchi Key	DOZGFBDFGIPWCL-RUDMXATFSA-N
Inchi ID	InChI=1S/C20H16F3N3O/c1-12-10-17(24)16-11-15(7-8-18(16)25-12)26-19(27)9-4-13-2-5-14(6-3-13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b9-4+
PubChem CID	15133403
ChEMBL	CHEMBL87370
IUPHAR	N/A
BindingDB	50193649
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	7.0 ug.mL-1	PMID1310118	ChEMBL

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