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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	CHEMBL540704
Molecular formula	C25H21FN4O2
IUPAC name	N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
Molecular weight	428.467
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.7
Synonyms	AKOS001784467 ZINC9560585 N-(9-ethyl-9H-carbazol-3-yl)-3-(3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl)propanamide BDBM50254044 F9994-0512 ZINC09560585 MolPort-007-613-071 [ Show all ]
Inchi Key	BVIHFTLHUNNBFZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H21FN4O2/c1-2-30-21-10-6-4-7-17(21)19-15-16(11-12-22(19)30)27-23(31)13-14-24-28-25(29-32-24)18-8-3-5-9-20(18)26/h3-12,15H,2,13-14H2,1H3,(H,27,31)
PubChem CID	22431127
ChEMBL	CHEMBL540704
IUPHAR	N/A
BindingDB	50254044
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	110.0 nM	PMID18680277	BindingDB,ChEMBL
EC50	111.0 nM	PMID19062274	BindingDB,ChEMBL
EC50	140.0 nM	PMID18680277	BindingDB,ChEMBL
Emax	93.0 %	PMID18680277	ChEMBL
Emax	100.0 %	PMID18680277	ChEMBL
Emax	103.0 %	PMID19062274	ChEMBL

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