Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM87017
Substrate
n/a
Ki
52.8±n/a nM
Comments
PDSP_8604
Citation
 Wang, H; Duffy, RA; Boykow, GC; Chackalamannil, S; Madison, VS Identification of novel cannabinoid CB1 receptor antagonists by using virtual screening with a pharmacophore model. J Med Chem 51:2439-46 (2008) [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:
BDBM87017
Synonyms:
CAS_44450408 | NSC_44450408 | S-(R)-1-((2S,3R)-1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl)-3-phenylpropyl ethanethioate
Type:
Small organic molecule
Emp. Form.:
C26H24FNO3S
Mol. Mass.:
449.537
SMILES:
CC(=O)SC(CCc1ccccc1)C1C(N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1
Structure:
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