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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	Cannabinoid receptor 2
Species	Homo sapiens (Human)
Gene	CNR2
Synonym	Peripheral cannabinoid receptor rCB2 hCB2 cannabinoid receptor 2 (macrophage) cannabinoid receptor 2 (spleen) CB-2 CB2 CB2 receptor CB2-R CX5 [ Show all ]
Disease	Immune disorder Inflammatory bowel disease Inflammatory disease Neuropathic pain Osteoporosis Pain Atopic dermatitis Rheumatoid arthritis [ Show all ]
Length	360
Amino acid sequence	MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASVGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC
UniProt	P34972
Protein Data Bank	5zty
GPCR-HGmod model	P34972
3D structure model	This structure is from PDB ID 5zty.
BioLiP	BL0438927
Therapeutic Target Database	T37693
ChEMBL	CHEMBL253
IUPHAR	57
DrugBank	BE0000095

Ligand

Name	CHEMBL204387
Molecular formula	C24H28N2O5
IUPAC name	N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
Molecular weight	424.497
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	4.7
Synonyms	BDBM50422834
Inchi Key	AIRPNQJNJIBMOF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28N2O5/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)26-21(17)22)23(28)25-13-12-16-6-9-18(27)10-7-16/h6-11,15,27H,3-5,12-14H2,1-2H3,(H,25,28)(H,26,29)
PubChem CID	11697527
ChEMBL	CHEMBL204387
IUPHAR	N/A
BindingDB	50422834
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	10.0 nM	PMID16539390	BindingDB
IC50	10.0 nM	PMID16539390	ChEMBL
Imax	90.0 %	PMID16539390	ChEMBL
Ki	0.4797 nM	PMID25644673	ChEMBL
Ki	0.479733 nM	PMID25644673	BindingDB
Ki	0.48 nM	PMID25644673	BindingDB
Ki	0.48 nM	PMID25644673	ChEMBL

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