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GPCR

Name	Cannabinoid receptor 2
Species	Rattus norvegicus (Rat)
Gene	Cnr2
Synonym	Peripheral cannabinoid receptor CB2-R CB2 receptor CB2 CB-2 cannabinoid receptor 2 (spleen) cannabinoid receptor 2 (macrophage) rCB2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	360
Amino acid sequence	MAGCRELELTNGSNGGLEFNPMKEYMILSDAQQIAVAVLCTLMGLLSALENVAVLYLILSSQRLRRKPSYLFIGSLAGADFLASVIFACNFVIFHVFHGVDSRNIFLLKIGSVTMTFTASVGSLLLTAVDRYLCLCYPPTYKALVTRGRALVALGVMWVLSALISYLPLMGWTCCPSPCSELFPLIPNDYLLGWLLFIAILFSGIIYTYGYVLWKAHQHVASLAEHQDRQVPGIARMRLDVRLAKTLGLVMAVLLICWFPALALMGHSLVTTLSDKVKEAFAFCSMLCLVNSMINPIIYALRSGEIRSAAQHCLTGWKKYLQGLGSEGKEEAPKSSVTETEAEVKTTTGPGSRTPGCSNC
UniProt	Q9QZN9
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2470
IUPHAR	N/A
DrugBank	N/A

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	NCGC00016210-08 Win 55,212 WIN55212-2 (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- NCGC00161310-03 WIN 55212-2 (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 SCHEMBL118531 (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 NCGC00161310-01 WIN 55,212-2 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-, (+)- NCGC00161310-04 WIN-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 NCGC00016210-07 UNII-5H31GI9502 WIN55,212-2 (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 NCGC00161310-02 WIN 55212 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 NCGC00161310-05 WIN-55212 (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 [ 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	46.0 %	PMID19921781	ChEMBL
EC50	1.5 nM	PMID19921781	BindingDB,ChEMBL
IC50	2200.0 nM	PMID17582659	BindingDB,ChEMBL
Ki	1.3 nM	PMID11160626	BindingDB
Ki	7.58 nM	PMID22738271	BindingDB,ChEMBL
Ki	7.7 nM	PMID23350768	BindingDB
Ki	7.73 nM	PMID23350768	ChEMBL
Ki	10.4 nM	PMID10688601	BindingDB

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