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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL1641939
Molecular formula	C26H32N2O2
IUPAC name	N-[1-(1-adamantyl)ethyl]-1-ethyl-4-oxo-6-phenylpyridine-3-carboxamide
Molecular weight	404.554
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.7
Synonyms	BDBM50334587 SCHEMBL3408129 (r,s)-n3-(1-(1-adamantyl)ethyl)-1-ethyl-4-oxo-6-phenyl-1,4-dihydropyridine-3-carboxamide
Inchi Key	ABHGEUHKZCLZGJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H32N2O2/c1-3-28-16-22(24(29)12-23(28)21-7-5-4-6-8-21)25(30)27-17(2)26-13-18-9-19(14-26)11-20(10-18)15-26/h4-8,12,16-20H,3,9-11,13-15H2,1-2H3,(H,27,30)
PubChem CID	49820783
ChEMBL	CHEMBL1641939
IUPHAR	N/A
BindingDB	50334587
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
Ki	414.0 nM	PMID20979417	BindingDB,ChEMBL

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