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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.
Go to the GPCR page and check other ligands which interact with it.
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	CHEMBL513247
Molecular formula	C26H27ClN2O3
IUPAC name	N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)isoquinoline-4-carboxamide
Molecular weight	450.963
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.9
Synonyms	N-(4-chlorophenethyl)-N-(1,4-dioxaspiro[4.5]decan-8-yl)isoquinoline-4-carboxamide BDBM50275776
Inchi Key	DEVBBISJUZSUQK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H27ClN2O3/c27-21-7-5-19(6-8-21)11-14-29(22-9-12-26(13-10-22)31-15-16-32-26)25(30)24-18-28-17-20-3-1-2-4-23(20)24/h1-8,17-18,22H,9-16H2
PubChem CID	44589862
ChEMBL	CHEMBL513247
IUPHAR	N/A
BindingDB	50275776
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	400.0 nM	PMID18809326	BindingDB,ChEMBL

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