Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM419302
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
1357±n/a nM
Citation
 Gobbi, L; Grether, U; Guba, W; Kretz, J; Martin, RE; Westphal, MV; Ijzerman, AP [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor US Patent  US10457685 Publication Date 10/29/2019 
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:
BDBM419302
Synonyms:
2-[2-[[5-tert-Butyl-7-(3,3-difluoropyrrolidin-1-yl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]ethanesulfonyl fluoride | US10457685, Example 31
Type:
Small organic molecule
Emp. Form.:
C21H25F3N6O2S
Mol. Mass.:
482.522
SMILES:
CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3CCS(F)(=O)=O)c2n1
Structure:
Search PDB for entries with ligand similarity: