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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.
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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	UNII-4MC625LVID
Molecular formula	C21H29NO2
IUPAC name	[1-(5-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Molecular weight	327.468
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.1
Synonyms	(1-(5-Hydroxypentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone Methanone, (1-(5-hydroxypentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)- UR-144 N-(5-Hydroxypentyl) ZINC45255243 4MC625LVID SCHEMBL2079402 UR-144 N-(5-hydroxypentyl)metabolite 895155-95-0 CHEMBL571131 5-Hydroxy-UR-144 UR-144 N-5-hydroxypentyl BDBM50303531 [ Show all ]
Inchi Key	AFWBYMXUEMOBRP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H29NO2/c1-20(2)19(21(20,3)4)18(24)16-14-22(12-8-5-9-13-23)17-11-7-6-10-15(16)17/h6-7,10-11,14,19,23H,5,8-9,12-13H2,1-4H3
PubChem CID	11515395
ChEMBL	CHEMBL571131
IUPHAR	N/A
BindingDB	50303531
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	79.0 %	PMID19921781	ChEMBL
EC50	11.0 nM	PMID19921781	BindingDB,ChEMBL
Ki	0.7079 nM	PMID19921781	ChEMBL
Ki	0.71 nM	PMID19921781	BindingDB,ChEMBL

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