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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 | AM251 |
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Molecular formula | C22H21Cl2IN4O |
IUPAC name | 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide |
Molecular weight | 555.241 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 6.5 |
Synonyms | CHEBI:90724 DTXSID7042695 HMS3267K22 KBio2_000245 L000964 [ Show all ] |
Inchi Key | BUZAJRPLUGXRAB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) |
PubChem CID | 2125 |
ChEMBL | CHEMBL285932 |
IUPHAR | 3317 |
BindingDB | 21279 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 57.54 nM | PMID24984935 | ChEMBL |
EC50 | 58.0 nM | PMID24984935 | BindingDB |
EC50 | 67.61 nM | PMID25096297 | ChEMBL |
EC50 | 68.0 nM | PMID25096297 | BindingDB |
EC50 | 70.0 nM | PMID25096297 | BindingDB,ChEMBL |
Emax | -84.0 % | PMID24984935 | ChEMBL |
Emax | -8.0 % | PMID24984935 | ChEMBL |
Emax | 100.0 % | PMID25096297 | ChEMBL |
IC50 | 0.32 nM | PMID18333607 | BindingDB,ChEMBL |
IC50 | 3.5 nM | PMID18333607 | BindingDB,ChEMBL |
Ki | 2.3 nM | PMID18293908, PMID19595596, PMID18579386 | PDSP |
Ki | 2.3 nM | PMID18293908, PMID20943290, PMID19595596, PMID18579386 | BindingDB,ChEMBL |
Ki | 3.0 nM | PMID17513109 | BindingDB,ChEMBL |
Ki | 7.482 nM | Med Chem Res, (2013) 22:9:4133 | ChEMBL |
Ki | 7.49 nM | PMID20218623 | BindingDB,ChEMBL |
Ki | 7.5 nM | Med Chem Res, (2013) 22:9:4133 | ChEMBL |
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