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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	CHEMBL584528
Molecular formula	C20H21F4NO2
IUPAC name	[1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetrafluoro-1-methylcyclobutyl)methanone
Molecular weight	383.387
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM50303574 SCHEMBL2075666 (2,2,3,3-Tetrafluoro-1-methylcyclobutyl)(1-((tetrahydro-2Hpyran-4-yl)methyl)-1H-indol-3-yl)methanone
Inchi Key	ACLHVQFTZBYNIH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21F4NO2/c1-18(12-19(21,22)20(18,23)24)17(26)15-11-25(10-13-6-8-27-9-7-13)16-5-3-2-4-14(15)16/h2-5,11,13H,6-10,12H2,1H3
PubChem CID	11589048
ChEMBL	CHEMBL584528
IUPHAR	N/A
BindingDB	50303574
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	46.0 %	PMID19921781	ChEMBL
EC50	197.0 nM	PMID19921781	BindingDB,ChEMBL
Ki	46.77 nM	PMID19921781	ChEMBL
Ki	47.0 nM	PMID19921781	BindingDB,ChEMBL

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