Reaction Details  Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50585657
Substrate
n/a
Meas. Tech.
ChEMBL_2163584 (CHEMBL5048445)
Ki
3.3±n/a nM
Citation
 Iyer, MR; Cinar, R; Wood, CM; Zawatsky, CN; Coffey, NJ; Kim, KA; Liu, Z; Katz, A; Abdalla, J; Hassan, SA; Lee, YS Synthesis, Biological Evaluation, and Molecular Modeling Studies of 3,4-Diarylpyrazoline Series of Compounds as Potent, Nonbrain Penetrant Antagonists of Cannabinoid-1 (CB J Med Chem 65:2374-2387 (2022) [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:
BDBM50585657
Synonyms:
CHEMBL5092394
Type:
Small organic molecule
Emp. Form.:
C28H26ClF3N6O2S
Mol. Mass.:
603.058
SMILES:
N\C(=N/C(=N/S(=O)(=O)N1CCC(F)(F)CC1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1 |c:20|
Structure:
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