Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM419294
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
1454±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:
BDBM419294
Synonyms:
5-[Difluoro(phenyl)methyl]-7-(3-isothiocyanatopyrrolidin-1-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine | US10457685, Example 23
Type:
Small organic molecule
Emp. Form.:
C20H17F2N9OS
Mol. Mass.:
469.47
SMILES:
Cc1nonc1Cn1nnc2c(nc(nc12)C(F)(F)c1ccccc1)N1CCC(C1)N=C=S
Structure:
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