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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
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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	CHEMBL576706
Molecular formula	C20H27NO2
IUPAC name	[1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Molecular weight	313.441
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.8
Synonyms	BDBM50303530 SCHEMBL2078607 (1-(4-Hydroxybutyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
Inchi Key	FLRZCGZOXGSCNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H27NO2/c1-19(2)18(20(19,3)4)17(23)15-13-21(11-7-8-12-22)16-10-6-5-9-14(15)16/h5-6,9-10,13,18,22H,7-8,11-12H2,1-4H3
PubChem CID	11580465
ChEMBL	CHEMBL576706
IUPHAR	N/A
BindingDB	50303530
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	100.0 %	PMID19921781	ChEMBL
Activity	105.0 %	PMID19921781	ChEMBL
EC50	2.1 nM	PMID19921781	BindingDB,ChEMBL
EC50	8.0 nM	PMID19921781	BindingDB,ChEMBL
Ki	2.188 nM	PMID19921781	ChEMBL
Ki	2.2 nM	PMID19921781	BindingDB,ChEMBL

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