Reaction Details  Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50553588
Substrate
n/a
Meas. Tech.
ChEMBL_2046939 (CHEMBL4701638)
Ki
218±n/a nM
Citation
 Penthala, NR; Shoeib, A; Dachavaram, SS; Cabanlong, CV; Yang, J; Zhan, CG; Prather, PL; Crooks, PA 7-Azaindolequinuclidinones (7-AIQD): A novel class of cannabinoid 1 (CB1) and cannabinoid 2 (CB2) receptor ligands. Bioorg Med Chem Lett 30:0 (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:
BDBM50553588
Synonyms:
CHEMBL4747163
Type:
Small organic molecule
Emp. Form.:
C22H20FN3O
Mol. Mass.:
361.4121
SMILES:
Fc1ccc(Cn2cc(\C=C3/N4CCC(CC4)C3=O)c3cccnc23)cc1 |(43.82,-36.75,;45.16,-35.99,;45.17,-34.45,;46.51,-33.7,;47.83,-34.49,;49.17,-33.73,;49.18,-32.2,;50.09,-30.95,;49.18,-29.69,;49.17,-28.15,;50.49,-27.37,;51.84,-28.13,;53.16,-27.35,;53.15,-25.81,;51.82,-25.05,;52.57,-26.38,;51.08,-26.77,;50.48,-25.83,;49.15,-25.07,;47.71,-30.18,;46.37,-29.4,;45.03,-30.18,;45.03,-31.73,;46.37,-32.5,;47.71,-31.72,;47.82,-36.02,;46.49,-36.78,)|
Structure:
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