Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50461688
Substrate
n/a
Meas. Tech.
ChEMBL_1771903 (CHEMBL4224015)
Ki
2.0±n/a nM
Citation
 Amato, GS; Manke, A; Harris, DL; Wiethe, RW; Vasukuttan, V; Snyder, RW; Lefever, TW; Cortes, R; Zhang, Y; Wang, S; Runyon, SP; Maitra, R Blocking Alcoholic Steatosis in Mice with a Peripherally Restricted Purine Antagonist of the Type 1 Cannabinoid Receptor. J Med Chem 61:4370-4385 (2018) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 1
Synonyms:
CANN6 | CANNABINOID CB1 | CB-R | CB1 | CNR | CNR1 | CNR1_HUMAN | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cannabinoid receptor 1 (brain)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
52868.96
Organism:
Homo sapiens (Human)
Description:
P21554
Residue:
472
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
  
Inhibitor
Name:
BDBM50461688
Synonyms:
CHEMBL4225049
Type:
Small organic molecule
Emp. Form.:
C27H28Cl2N6
Mol. Mass.:
507.457
SMILES:
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C1CCCCC1)-c1ccccc1Cl
Structure:
Search PDB for entries with ligand similarity: