Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50029973
Substrate
n/a
Meas. Tech.
ChEMBL_1438383 (CHEMBL3383058)
Ki
>10000±n/a nM
Citation
 Lucchesi, V; Hurst, DP; Shore, DM; Bertini, S; Ehrmann, BM; Allarà, M; Lawrence, L; Ligresti, A; Minutolo, F; Saccomanni, G; Sharir, H; Macchia, M; Di Marzo, V; Abood, ME; Reggio, PH; Manera, C CB2-selective cannabinoid receptor ligands: synthesis, pharmacological evaluation, and molecular modeling investigation of 1,8-Naphthyridin-2(1H)-one-3-carboxamides. J Med Chem 57:8777-91 (2014) [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:
BDBM50029973
Synonyms:
CHEMBL3353447
Type:
Small organic molecule
Emp. Form.:
C29H27F2N3O2
Mol. Mass.:
487.5404
SMILES:
CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccc(F)cc1 |(18.76,-2.03,;17.43,-2.8,;17.43,-4.34,;16.11,-5.11,;14.76,-4.34,;14.75,-2.81,;16.09,-2.04,;13.43,-5.12,;12.1,-4.36,;12.09,-2.82,;10.77,-5.14,;9.43,-4.38,;8.11,-5.15,;6.77,-4.39,;5.44,-5.16,;5.44,-6.7,;6.77,-7.47,;8.11,-6.69,;9.44,-7.46,;9.45,-9,;10.78,-9.77,;10.78,-11.3,;12.11,-12.07,;13.44,-11.3,;14.78,-12.06,;13.44,-9.75,;12.1,-8.99,;10.78,-6.69,;12.11,-7.45,;4.1,-4.39,;4.1,-2.84,;2.76,-2.07,;1.42,-2.85,;.09,-2.08,;1.43,-4.4,;2.77,-5.16,)|
Structure:
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