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Name | Cannabinoid receptor 1 |
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Species | Homo sapiens (Human) |
Gene | CNR1 |
Synonym | CB1 Central cannabinoid receptor SKR6R THC receptor CB1R [ Show all ] |
Disease | Obesity; Diabetes Chemotherapy-induced nausea Diabetes; Obesity Drug abuse Hypertension; Diabetes; Obesity [ Show all ] |
Length | 472 |
Amino acid sequence | MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL |
UniProt | P21554 |
Protein Data Bank | 5tjv, 5u09, 5xr8, 5xra, 6n4b, 5tgz |
GPCR-HGmod model | P21554 |
3D structure model | This structure is from PDB ID 5tjv. |
BioLiP | BL0384680, BL0364157, BL0384679, BL0384681, BL0384682, BL0384683, BL0384684, BL0440253, BL0440254,BL0440255, BL0363267, BL0361447, BL0361446 |
Therapeutic Target Database | T76685 |
ChEMBL | CHEMBL218 |
IUPHAR | 56 |
DrugBank | BE0000061 |
Name | CHEMBL3221197 |
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Molecular formula | C21H20N2O2S |
IUPAC name | (2Z)-2-[(3-phenylmethoxyphenyl)methylidene]-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3-one |
Molecular weight | 364.463 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.4 |
Synonyms | 2-[3-(Benzyloxy)benzylidene]-2,3,5,6,7,8-hexahydroimidazo[2,1-b][1,3]thiazepine-3-one |
Inchi Key | TYPYKTGWUCNEDE-RGEXLXHISA-N |
Inchi ID | InChI=1S/C21H20N2O2S/c24-20-19(22-21-23(20)11-4-5-12-26-21)14-17-9-6-10-18(13-17)25-15-16-7-2-1-3-8-16/h1-3,6-10,13-14H,4-5,11-12,15H2/b19-14- |
PubChem CID | 90667660 |
ChEMBL | CHEMBL3221197 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Intrinsic activity | -35.0 % | MedChemComm, (2014) 5:5:632 | ChEMBL |
Ki | 2130.0 nM | MedChemComm, (2014) 5:5:632 | ChEMBL |
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