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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 | N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-methylbenzamide |
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Molecular formula | C19H23N3O3S2 |
IUPAC name | N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-methylbenzamide |
Molecular weight | 405.531 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 3.8 |
Synonyms | N-{[4-(tert-butylsulfamoyl)phenyl]carbamothioyl}-4-methylbenzamide MCULE-2666695268 ZINC677165 AC1LKBHM N-[({4-[(tert-butylamino)sulfonyl]phenyl}amino)carbonothioyl]-4-methylbenzamide [ Show all ] |
Inchi Key | ASWMCAIPTDHYOI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H23N3O3S2/c1-13-5-7-14(8-6-13)17(23)21-18(26)20-15-9-11-16(12-10-15)27(24,25)22-19(2,3)4/h5-12,22H,1-4H3,(H2,20,21,23,26) |
PubChem CID | 1015574 |
ChEMBL | CHEMBL3747743 |
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 |
---|---|---|---|
Activity | 103.0 % | PMID26575458 | ChEMBL |
Activity | 105.0 % | PMID26575458 | ChEMBL |
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