Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50517073
Substrate
n/a
Meas. Tech.
ChEMBL_1867313 (CHEMBL4368288)
EC50
>10000±n/a nM
Citation
 Hurst, DP; Garai, S; Kulkarni, PM; Schaffer, PC; Reggio, PH; Thakur, GA Identification of CB1 Receptor Allosteric Sites Using Force-Biased MMC Simulated Annealing and Validation by Structure-Activity Relationship Studies. ACS Med Chem Lett 10:1216-1221 (2019) [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:
BDBM50517073
Synonyms:
CHEMBL4434980
Type:
Small organic molecule
Emp. Form.:
C22H20N2
Mol. Mass.:
312.4076
SMILES:
NCC(c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: