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GLASS

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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	CHEMBL3936958
Molecular formula	C20H22F3N3O3S
IUPAC name	5-cyclopropyl-6-(2-methylpropylsulfonyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide
Molecular weight	441.469
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.8
Synonyms	ABNXKNCXFQSSMP-KRWDZBQOSA-N BDBM210723 SCHEMBL14226441 5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid ((S)-2,2,2-trifluoro-1-pyridin-3-yl-ethyl)-amide US9290451, 365
Inchi Key	ABNXKNCXFQSSMP-KRWDZBQOSA-N
Inchi ID	InChI=1S/C20H22F3N3O3S/c1-12(2)11-30(28,29)19-15(13-5-6-13)7-8-16(25-19)18(27)26-17(20(21,22)23)14-4-3-9-24-10-14/h3-4,7-10,12-13,17H,5-6,11H2,1-2H3,(H,26,27)/t17-/m0/s1
PubChem CID	71105750
ChEMBL	CHEMBL3936958
IUPHAR	N/A
BindingDB	210723
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	13.9 nM	, None	BindingDB,ChEMBL

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