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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	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	CHEMBL2177264
Molecular formula	C25H30O3
IUPAC name	3-benzyl-5-hydroxy-7-(2-methyloctan-2-yl)chromen-2-one
Molecular weight	378.512
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	7.9
Synonyms	BDBM50398222
Inchi Key	ZDCIQHUTWQLKJP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30O3/c1-4-5-6-10-13-25(2,3)20-16-22(26)21-15-19(24(27)28-23(21)17-20)14-18-11-8-7-9-12-18/h7-9,11-12,15-17,26H,4-6,10,13-14H2,1-3H3
PubChem CID	70678097
ChEMBL	CHEMBL2177264
IUPHAR	N/A
BindingDB	50398222
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
Inhibition	32.0 %	PMID22916707	ChEMBL
Ki	465.0 nM	PMID22916707	BindingDB,ChEMBL

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