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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	CHEMBL3647040
Molecular formula	C27H30N4
IUPAC name	4-methyl-6-(2-methyl-5-propan-2-ylphenyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
Molecular weight	410.565
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.8
Synonyms	US8846656, 43-D BDBM25051
Inchi Key	BEBIYJTWHGHJDC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H30N4/c1-16(2)20-7-6-17(3)25(13-20)31-11-9-23-22(15-31)18(4)12-24(30-23)26-19(5)14-29-27-21(26)8-10-28-27/h6-8,10,12-14,16H,9,11,15H2,1-5H3,(H,28,29)
PubChem CID	91618193
ChEMBL	CHEMBL3647040
IUPHAR	N/A
BindingDB	25051
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	802.0 nM	, None	BindingDB,ChEMBL

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