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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	SCHEMBL16222656
Molecular formula	C20H23ClN6O2S
IUPAC name	6-[2-tert-butyl-9-[(3-chloropyridin-2-yl)methyl]purin-6-yl]-2lambda6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
Molecular weight	446.954
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.4
Synonyms	AELZTFHFDZRLAS-UHFFFAOYSA-N 6-[2-tert-butyl-9-[(3-chloropyridin-2-yl)methyl]purin-6-yl]-2lambda6-thia-6-azaspiro[3.3]heptane 2,2-dioxide US9505762, 162
Inchi Key	AELZTFHFDZRLAS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H23ClN6O2S/c1-19(2,3)18-24-16-15(23-12-26(16)7-14-13(21)5-4-6-22-14)17(25-18)27-8-20(9-27)10-30(28,29)11-20/h4-6,12H,7-11H2,1-3H3
PubChem CID	117687337
ChEMBL	N/A
IUPHAR	N/A
BindingDB	259794
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	70.1 nM	N/A	BindingDB

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