Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM29096
Substrate
BDBM21278
Meas. Tech.
CB Receptor Radioligand Binding Assay (Ki)
pH
7.2±n/a
Temperature
295.15±n/a K
Ki
0.32±0.07 nM
Citation
 Pettersson, H; Bülow, A; Ek, F; Jensen, J; Ottesen, LK; Fejzic, A; Ma, JN; Del Tredici, AL; Currier, EA; Gardell, LR; Tabatabaei, A; Craig, D; McFarland, K; Ott, TR; Piu, F; Burstein, ES; Olsson, R Synthesis and evaluation of dibenzothiazepines: a novel class of selective cannabinoid-1 receptor inverse agonists. J Med Chem 52:1975-82 (2009) [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:
BDBM29096
Synonyms:
dibenzothiazepine, 12b
Type:
Small organic molecule
Emp. Form.:
C26H24ClN3OS
Mol. Mass.:
462.006
SMILES:
Clc1cccc(CNC(=O)c2ccc3Sc4ccccc4C(=Nc3c2)N2CCCCC2)c1 |c:22|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21278
Synonyms:
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide | Acomplia | CHEMBL111 | CHEMBL558598 | RIMONABANT HYDROCHLORIDE | Rimonabant | SR 141716A | SR141716 | SR141716A | [3H]Rimonabant | [3H]SR141716A
Type:
Small organic molecule
Emp. Form.:
C22H21Cl3N4O
Mol. Mass.:
463.787
SMILES:
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Structure:
Search PDB for entries with ligand similarity: