Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50268569
Substrate
n/a
Meas. Tech.
ChEMBL_519831 (CHEMBL961196)
Ki
236±n/a nM
Citation
 Szabó, G; Kiss, R; Páyer-Lengyel, D; Vukics, K; Szikra, J; Baki, A; Molnár, L; Fischer, J; Keseru, GM Hit-to-lead optimization of pyrrolo[1,2-a]quinoxalines as novel cannabinoid type 1 receptor antagonists. Bioorg Med Chem Lett 19:3471-5 (2009) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 1
Synonyms:
Brain-type cannabinoid receptor | CANNABINOID CB1 | CB-R | CB1 | CNR1_RAT | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cnr1 | Skr6
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
52856.55
Organism:
Rattus norvegicus (rat)
Description:
P20272
Residue:
473
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEENIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
  
Inhibitor
Name:
BDBM50268569
Synonyms:
CHEMBL496596 | N-butyl-N-(2-(4-(4-methoxyphenyl)pyrrolo[1,2-a]quinoxalin-5(4H)-yl)-2-oxoethyl)-3-methylbutanamide
Type:
Small organic molecule
Emp. Form.:
C29H35N3O3
Mol. Mass.:
473.6065
SMILES:
CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)CC(C)C
Structure:
Search PDB for entries with ligand similarity: