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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 | MLS-0437152.0001 |
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Molecular formula | C21H20FN3O3 |
IUPAC name | 3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one |
Molecular weight | 381.407 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 3.4 |
Synonyms | 3-[1-[2-(4-fluorophenyl)ethanoyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one cid_23612544 AKOS001525194 3-[1-[2-(4-fluorophenyl)acetyl]-4-piperidyl]-5-phenyl-1,3,4-oxadiazol-2-one 3-{1-[(4-fluorophenyl)acetyl]piperidin-4-yl}-5-phenyl-1,3,4-oxadiazol-2(3H)-one [ Show all ] |
Inchi Key | DUVOCISEPNTRPD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H20FN3O3/c22-17-8-6-15(7-9-17)14-19(26)24-12-10-18(11-13-24)25-21(27)28-20(23-25)16-4-2-1-3-5-16/h1-9,18H,10-14H2 |
PubChem CID | 23612544 |
ChEMBL | CHEMBL1736309 |
IUPHAR | N/A |
BindingDB | 76056 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <32000.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
IC50 | 11700.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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