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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 | CHEMBL524826 |
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Molecular formula | C19H20ClFN4O2 |
IUPAC name | 5-[3-(2-tert-butylpyrimidin-5-yl)oxypropyl]-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole |
Molecular weight | 390.843 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 4.8 |
Synonyms | BDBM50272429 2-tert-Butyl-5-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propoxy)pyrimidine |
Inchi Key | GASFAQIEJVLYMT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H20ClFN4O2/c1-19(2,3)18-22-10-13(11-23-18)26-8-4-5-16-24-17(25-27-16)14-7-6-12(21)9-15(14)20/h6-7,9-11H,4-5,8H2,1-3H3 |
PubChem CID | 25034273 |
ChEMBL | CHEMBL524826 |
IUPHAR | N/A |
BindingDB | 50272429 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 610.0 nM | PMID18680277 | BindingDB,ChEMBL |
EC50 | 1500.0 nM | PMID18680277 | BindingDB,ChEMBL |
Emax | 63.0 % | PMID18680277 | ChEMBL |
Emax | 99.0 % | PMID18680277 | ChEMBL |
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