Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCannabinoid receptor 1
LigandBDBM50232933
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1649598
Ki 115±n/a nM
Citation Ragusa GGómez-Cañas MMorales PRodríguez-Cueto CPazos MRAsproni BCichero EFossa PPinna GAJagerovic NFernández-Ruiz JMurineddu G New pyridazinone-4-carboxamides as new cannabinoid receptor type-2 inverse agonists: Synthesis, pharmacological data and molecular docking. Eur J Med Chem 127:398-412 (2017) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Cannabinoid receptor 1
Name:Cannabinoid receptor 1
Synonyms:CANN6 | CANNABINOID CB1 | CB-R | CB1 | CNR | CNR1 | 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:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQE
KMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIA
VLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVF
HRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLM
WTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWK
AHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLL
AIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQ
PLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50232933
n/a
NameBDBM50232933
Synonyms:CHEMBL4094388
TypeSmall organic molecule
Emp. Form.C25H26FN3O2
Mol. Mass.419.4912
SMILESC[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccccc1 |r,wU:4.7,1.0,(18.4,-15.46,;17.62,-16.78,;18.37,-18.12,;17.59,-19.44,;16.06,-19.42,;15.29,-18.09,;16.08,-16.77,;15.27,-20.75,;13.73,-20.74,;12.97,-19.4,;12.95,-22.07,;11.4,-22.05,;10.64,-23.39,;11.39,-24.73,;12.93,-24.74,;13.69,-26.08,;12.91,-27.41,;11.37,-27.39,;10.59,-28.71,;11.35,-30.05,;10.57,-31.38,;12.9,-30.06,;13.67,-28.73,;13.71,-23.41,;15.25,-23.42,;9.1,-23.38,;8.32,-24.71,;6.78,-24.7,;6.02,-23.36,;6.79,-22.03,;8.32,-22.03,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: