Target
Cannabinoid receptor 1
Ligand
BDBM50519778
Substrate
n/a
Meas. Tech.
ChEMBL_1878393 (CHEMBL4379787)
Ki
94±n/a nM
Citation
 Garai, SKulkarni, PMSchaffer, PCLeo, LMBrandt, ALZagzoog, ABlack, TLin, XHurst, DPJanero, DRAbood, MEZimmowitch, AStraiker, APertwee, RGKelly, MSzczesniak, AMDenovan-Wright, EMMackie, KHohmann, AGReggio, PHLaprairie, RBThakur, GA Application of Fluorine- and Nitrogen-Walk Approaches: Defining the Structural and Functional Diversity of 2-Phenylindole Class of Cannabinoid 1 Receptor Positive Allosteric Modulators. J Med Chem 63:542-568 (2020) [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:
BDBM50519778
Synonyms:
CHEMBL4519310
Type:
Small organic molecule
Emp. Form.:
C22H15F3N2O2
Mol. Mass.:
396.3619
SMILES:
[O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F
Structure:
Search PDB for entries with ligand similarity: