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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	Win-55212-2
Molecular formula	C27H26N2O3
IUPAC name	[(11R)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone
Molecular weight	426.516
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.4
Synonyms	(2,3-dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl)methanone monomethanesulfonat BRD-K88282786-066-04-9 GTPL733 NCGC00016210-03 NCGC00161310-03 WIN 55212-2 (r)-(+)-[2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenylmethanone CHEBI:73295 HQVHOQAKMCMIIM-HXUWFJFHSA-N NCGC00016210-06 SCHEMBL118531 ZINC25783468 (11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-[(naphthalen-1-yl)carbonyl]-9-oxa-1-azatricyclo[6.3.1.0^{4,12}]dodeca-2,4,6,8(12)-tetraene 1319206-37-5 BDBM21281 D0J7RW Methanone, (2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo(1,2,3-de)-1,4-benzoxazin-6-yl)-1-naphthalenyl-, (+)- NCGC00161310-01 WIN 55,212-2 (2,3-Dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl)methanone monomethanesulfonate 5H31GI9502 BSPBio_001538 HMS1791M20 NCGC00016210-04 NCGC00161310-04 WIN-2 (R)-(+)-[2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenylmethanone mesylate AJ-82127 Lopac0_001278 NCGC00016210-07 UNII-5H31GI9502 WIN55,212-2 [(3R)-5-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl](1-naphthyl)methanone (2,3-Dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl)methanone 134959-51-6 BRD-K88282786-001-02-0 FT-0675859 NCGC00016210-02 NCGC00161310-02 WIN 55212 2 (R)-( )-Win 55212-2 6H-Pyrrolo(3,2,1-ij)quinolin-6-one, 4,5-dihydro-2-methyl-4-(4-morpholinylmethyl)-1-(1-naphthalenylcarbonyl)-, (R)- CCG-205351 HMS1989M20 NCGC00016210-05 NCGC00161310-05 WIN-55212 (11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphthalen-1-ylcarbonyl)-9-oxa-1-azatricyclo[6.3.1.0^{4,12}]dodeca-2,4(12),5,7-tetraene 131543-22-1 AKOS030534882 CHEMBL188 Methanone, ((3R)-2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo(1,2,3-de)-1,4-benzoxazin-6-yl)-1-naphthalenyl- NCGC00016210-08 Win 55,212 WIN55212-2 [ Show all ]
Inchi Key	HQVHOQAKMCMIIM-HXUWFJFHSA-N
Inchi ID	InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
PubChem CID	5311501
ChEMBL	CHEMBL188
IUPHAR	733
BindingDB	21281
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	50.0 %	PMID19091565	ChEMBL
Activity	74.0 %	PMID19921781, PMID18311894	ChEMBL
Activity	98.0 %	PMID19921781	ChEMBL
Activity	127.8 %	PMID16392793	ChEMBL
Activity	207.1 %	PMID17915849	ChEMBL
EC50	0.39 nM	PMID19921781	BindingDB,ChEMBL
EC50	0.47 nM	PMID17630726	BindingDB,ChEMBL
EC50	1.5 nM	PMID17884494	BindingDB,ChEMBL
EC50	1.585 nM	PMID21885167	ChEMBL
EC50	2.0 nM	PMID24508127	ChEMBL
EC50	2.04 nM	PMID23849204	ChEMBL
EC50	14.0 nM	PMID18522867	BindingDB,ChEMBL
EC50	14.8 nM	PMID23350768	ChEMBL
EC50	15.0 nM	PMID23350768	BindingDB
EC50	15.6 nM	PMID26922225	ChEMBL
EC50	16.0 nM	PMID26922225	BindingDB
EC50	24.5 nM	PMID25699149	ChEMBL
EC50	24.6 nM	PMID16392793, PMID20979417	BindingDB,ChEMBL
EC50	25.0 nM	PMID25699149	BindingDB
EC50	86.0 nM	PMID19921781, PMID18311894	BindingDB,ChEMBL
EC50	89.6 nM	PMID23017078, PMID23151320	BindingDB,ChEMBL
EC50	124.5 nM	PMID18311894	BindingDB
Emax	53.0 %	PMID26922225	ChEMBL
Emax	64.0 %	PMID18522867	ChEMBL
Emax	96.9 %	PMID17630726	ChEMBL
Emax	100.0 %	PMID17884494	ChEMBL
Emax	126.2 %	PMID16392793	ChEMBL
Emax	132.0 %	PMID26922225	ChEMBL
Emax	207.0 %	PMID25699149	ChEMBL
Emax	207.1 %	PMID20979417	ChEMBL
Emax	232.0 %	PMID23017078, PMID23151320	ChEMBL
Emax	243.0 %	PMID23849204, PMID24508127	ChEMBL
IC50	1.1 nM	PMID17521907	BindingDB,ChEMBL
IC50	3.4 nM	PMID23227781	BindingDB,ChEMBL
IC50	8.9 nM	PMID17630726	BindingDB,ChEMBL
IC50	15.7 nM	PMID22738271	BindingDB,ChEMBL
Inhibition	70.0 %	PMID26789378	ChEMBL
Intrinsic activity	190.0 %	PMID24922543	ChEMBL
Ki	0.251188 - 3.98108 nM	PMID7565624, PMID8819477, PMID8679694	IUPHAR
Ki	0.28 nM	PMID22341572, PMID16005223, PMID27560280, PMID9857088	BindingDB,ChEMBL
Ki	0.28 nM	PMID27560280	BindingDB
Ki	0.29 nM	PMID11160626	BindingDB
Ki	0.3 nM	PMID12747783, PMID23865723, PMID23466226, PMID18680277, PMID23672690	BindingDB,ChEMBL
Ki	0.3 nM	PMID23865723, PMID23466226	BindingDB
Ki	0.41 nM	PMID12065738	BindingDB
Ki	0.45 nM	PMID24831513, PMID25072877	BindingDB,ChEMBL
Ki	0.45 nM	PMID25072877	BindingDB
Ki	0.9 nM	PMID26149623	BindingDB
Ki	0.9 nM	PMID26149623	ChEMBL
Ki	1.19 nM	PMID10688601	BindingDB
Ki	1.2 nM	PMID19278853	BindingDB,ChEMBL
Ki	1.288 nM	PMID19921781, PMID18311894	ChEMBL
Ki	1.3 nM	PMID19921781, PMID18311894, PMID21183257	BindingDB,ChEMBL
Ki	2.0 nM	PMID22044209, PMID16213718, PMID22607668	BindingDB,ChEMBL
Ki	2.1 nM	PMID25065940, PMID21999614, PMID21902175, PMID16279794, PMID19331413, PMID17942307, PMID17561406, PMID27448919, PMID20022504	BindingDB,ChEMBL
Ki	2.2 nM	PMID17521907	BindingDB,ChEMBL
Ki	2.51 nM	PMID21316962	BindingDB
Ki	2.512 nM	MedChemComm, (2010) 1:1:54, PMID21316962, PMID21074434	ChEMBL
Ki	2.9 nM	PMID17884494	BindingDB,ChEMBL
Ki	3.1 nM	PMID25699149, PMID23017078, PMID23151320	BindingDB,ChEMBL
Ki	3.7 nM	PMID26789378, PMID26209834, PMID24141201, PMID24378710, PMID23434135	BindingDB,ChEMBL
Ki	3.73 nM	PMID23434135	ChEMBL
Ki	3.9 nM	PMID11741470	BindingDB,ChEMBL
Ki	4.0 nM	PMID12161142	BindingDB,ChEMBL
Ki	4.53 nM	PMID22738271	BindingDB,ChEMBL
Ki	4.6 nM	PMID26922225	BindingDB,ChEMBL
Ki	4.95 nM	PMID23350768	ChEMBL
Ki	5.0 nM	PMID23350768	BindingDB
Ki	6.31 nM	PMID21885167	ChEMBL
Ki	9.1 nM	PMID16392793, PMID24508127, PMID23849204, PMID20979417, PMID20688519	BindingDB,ChEMBL
Ki	13.0 nM	PMID24125850	ChEMBL
Ki	16.1 nM	PMID23849204	ChEMBL
Ki	20.0 nM	PMID18522867	BindingDB,ChEMBL
Ki	70.0 nM	PMID24139843	ChEMBL
Log Ki	0.55 nM	PMID10882356	ChEMBL