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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	CHEMBL3220952
Molecular formula	C19H18N2OS
IUPAC name	2,2-diphenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3-one
Molecular weight	322.426
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.0
Synonyms	2,2-Diphenyl-2,3,5,6,7,8-hexahydroimidazo[2,1-b][1,3]thiazepine-3-one
Inchi Key	PSQJRNBEXJPMGW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18N2OS/c22-17-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)20-18-21(17)13-7-8-14-23-18/h1-6,9-12H,7-8,13-14H2
PubChem CID	14898644
ChEMBL	CHEMBL3220952
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	14.0 %	MedChemComm, (2014) 5:5:632	ChEMBL
Ki	<10000.0 nM	MedChemComm, (2014) 5:5:632	ChEMBL

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