Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50230381
Substrate
n/a
Meas. Tech.
ChEMBL_1644839 (CHEMBL3993768)
Ki
15±n/a nM
Citation
 Iyer, MR; Cinar, R; Katz, A; Gao, M; Erdelyi, K; Jourdan, T; Coffey, NJ; Pacher, P; Kunos, G Design, Synthesis, and Biological Evaluation of Novel, Non-Brain-Penetrant, Hybrid Cannabinoid CB J Med Chem 60:1126-1141 (2017) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 1
Synonyms:
Brain-type cannabinoid receptor | CANNABINOID CB1 | CB-R | CB1 | CNR1_MOUSE | Cannabinoid CB1 receptor | Cannabinoid receptor | Cnr1
Type:
Enzyme
Mol. Mass.:
52842.52
Organism:
Mus musculus (Mouse)
Description:
P47746
Residue:
473
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNSPLVPAGDTTNITEFYNKSLSSFKENEDNIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCKKLQSVCSDIFPLIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNTASMHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
  
Inhibitor
Name:
BDBM50230381
Synonyms:
CHEMBL4068564
Type:
Small organic molecule
Emp. Form.:
C33H33Cl2N5O2S
Mol. Mass.:
634.618
SMILES:
N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 |c:19,TLB:1:33:36:40.39.38,THB:34:35:38:42.33.41,34:33:36.35.40:38,1:33:36.35.40:38,41:33:36:40.39.38,41:39:36:42.34.33|
Structure:
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