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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.
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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	CHEMBL2181546
Molecular formula	C26H30O4
IUPAC name	7-(1-butylcyclohexyl)-5-hydroxy-3-[(2-hydroxyphenyl)methyl]chromen-2-one
Molecular weight	406.522
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	7.8
Synonyms	BDBM50398215
Inchi Key	BTQAIJPHDOPKAX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H30O4/c1-2-3-11-26(12-7-4-8-13-26)20-16-23(28)21-15-19(25(29)30-24(21)17-20)14-18-9-5-6-10-22(18)27/h5-6,9-10,15-17,27-28H,2-4,7-8,11-14H2,1H3
PubChem CID	70678240
ChEMBL	CHEMBL2181546
IUPHAR	N/A
BindingDB	50398215
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
EC50	179.0 nM	PMID22916707	BindingDB,ChEMBL
Inhibition	76.0 %	PMID22916707	ChEMBL
Ki	49.0 nM	PMID22916707	BindingDB,ChEMBL

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