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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.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL500927
Molecular formula	C19H12ClF4N5O3
IUPAC name	3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-cyano-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]propanamide
Molecular weight	469.781
Hydrogen bond acceptor	11
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50272344 3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-(5-cyano-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)propanamide
Inchi Key	AZLFGSQKXKYODE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H12ClF4N5O3/c20-14-6-11(21)1-2-13(14)17-28-16(32-29-17)4-3-15(30)27-12-5-10(7-25)18(26-8-12)31-9-19(22,23)24/h1-2,5-6,8H,3-4,9H2,(H,27,30)
PubChem CID	25034004
ChEMBL	CHEMBL500927
IUPHAR	N/A
BindingDB	50272344
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

Parameter	Value	Reference	Database source
EC50	14.0 nM	PMID18680277	BindingDB,ChEMBL
EC50	31.0 nM	PMID18680277	BindingDB,ChEMBL
Emax	97.0 %	PMID18680277	ChEMBL
Emax	110.0 %	PMID18680277	ChEMBL

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