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GPCR

Name	Cannabinoid receptor 1
Species	Taeniopygia guttata (Zebra finch)
Gene	CNR1
Synonym	CB-R CB1
Disease	N/A for non-human GPCRs
Length	473
Amino acid sequence	MKSILDGLADTTFRTITTDLLYVGSNDIQYEDMKGDMASKLGYYPQKFPLSSFRGDPFQEKMTGGDDSLLSIIPSEQVNITEFYNKSLSTFKDNEENIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCVMWTIAIVIAVLPLLGWNCKKLNSVCSDIFPLIDETYLMFWIGVTSILLLFIVYAYMYILWKAHSHAVRMLQRGTQKSIIIQSTEDGKVQITRPDQTRMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTIFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPTCEGTAQPLDNSMESDCQHKHANNAGNVHRAAESCIKSTVKIAKVTMSVSTDTTAEAL
UniProt	P56971
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	N/A
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	NCGC00016210-02 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 HMS1989M20 NCGC00016210-05 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 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 (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 NCGC00016210-03 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 HQVHOQAKMCMIIM-HXUWFJFHSA-N NCGC00016210-06 SCHEMBL118531 (r)-(+)-[2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenylmethanone CHEBI:73295 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 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 NCGC00016210-04 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 Lopac0_001278 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 [ 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
Ki	63.3 nM	PMID11259544	BindingDB

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