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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	CHEMBL3582009
Molecular formula	C21H32N4O4
IUPAC name	6-(cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
Molecular weight	404.511
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.3
Synonyms	BDBM50090949 SCHEMBL17142074
Inchi Key	DFWSVWORWUYNBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H32N4O4/c1-5-21(6-2,20(27)22-3)24-18(26)16-9-10-17(25-11-15(12-25)28-4)19(23-16)29-13-14-7-8-14/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,27)(H,24,26)
PubChem CID	118418663
ChEMBL	CHEMBL3582009
IUPHAR	N/A
BindingDB	50090949
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	<10000.0 nM	PMID25950914	BindingDB,ChEMBL
EC50	47.0 nM	PMID25950914	BindingDB,ChEMBL
Ki	169.8 nM	PMID25950914	ChEMBL
Ki	170.0 nM	PMID25950914	BindingDB

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