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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	CHEMBL524826
Molecular formula	C19H20ClFN4O2
IUPAC name	5-[3-(2-tert-butylpyrimidin-5-yl)oxypropyl]-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
Molecular weight	390.843
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.8
Synonyms	BDBM50272429 2-tert-Butyl-5-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propoxy)pyrimidine
Inchi Key	GASFAQIEJVLYMT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20ClFN4O2/c1-19(2,3)18-22-10-13(11-23-18)26-8-4-5-16-24-17(25-27-16)14-7-6-12(21)9-15(14)20/h6-7,9-11H,4-5,8H2,1-3H3
PubChem CID	25034273
ChEMBL	CHEMBL524826
IUPHAR	N/A
BindingDB	50272429
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	4.9 nM	PMID18680277	BindingDB,ChEMBL
EC50	24.0 nM	PMID18680277	BindingDB,ChEMBL
Emax	91.0 %	PMID18680277	ChEMBL
Emax	110.0 %	PMID18680277	ChEMBL

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