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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	MLS-0437152.0001
Molecular formula	C21H20FN3O3
IUPAC name	3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
Molecular weight	381.407
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.4
Synonyms	AKOS001525194 3-[1-[2-(4-fluorophenyl)acetyl]-4-piperidyl]-5-phenyl-1,3,4-oxadiazol-2-one 3-{1-[(4-fluorophenyl)acetyl]piperidin-4-yl}-5-phenyl-1,3,4-oxadiazol-2(3H)-one HMS3453G15 BDBM76056 MolPort-007-697-414 3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one CHEMBL1736309 MCULE-7461531212 3-[1-[2-(4-fluorophenyl)-1-oxoethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one CCG-152876 ZINC15669657 3-[1-[2-(4-fluorophenyl)ethanoyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one cid_23612544 [ Show all ]
Inchi Key	DUVOCISEPNTRPD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20FN3O3/c22-17-8-6-15(7-9-17)14-19(26)24-12-10-18(11-13-24)25-21(27)28-20(23-25)16-4-2-1-3-5-16/h1-9,18H,10-14H2
PubChem CID	23612544
ChEMBL	CHEMBL1736309
IUPHAR	N/A
BindingDB	76056
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	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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