Reaction Details Report a problem with these data
Target
Acyl-CoA (8-3)-desaturase
Ligand
BDBM50576736
Substrate
n/a
Meas. Tech.
ChEMBL_2127757 (CHEMBL4837102)
IC50
1.7±n/a nM
Citation
 Sabnis, RW Novel Heterocyclic Compounds as Delta-5-Desaturase Inhibitors for Treating Metabolic and Cardiovascular Diseases. ACS Med Chem Lett 12:1218-1219 (2021) [PubMed]  Article 
Target
Name:
Acyl-CoA (8-3)-desaturase
Synonyms:
FADS1 | FADS1_HUMAN | FADSD5 | Fatty acid desaturase 1
Type:
PROTEIN
Mol. Mass.:
51985.80
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1513296
Residue:
444
Sequence:
MAPDPVAAETAAQGPTPRYFTWDEVAQRSGCEERWLVIDRKVYNISEFTRRHPGGSRVISHYAGQDATDPFVAFHINKGLVKKYMNSLLIGELSPEQPSFEPTKNKELTDEFRELRATVERMGLMKANHVFFLLYLLHILLLDGAAWLTLWVFGTSFLPFLLCAVLLSAVQAQAGWLQHDFGHLSVFSTSKWNHLLHHFVIGHLKGAPASWWNHMHFQHHAKPNCFRKDPDINMHPFFFALGKILSVELGKQKKKYMPYNHQHKYFFLIGPPALLPLYFQWYIFYFVIQRKKWVDLAWMITFYVRFFLTYVPLLGLKAFLGLFFIVRFLESNWFVWVTQMNHIPMHIDHDRNMDWVSTQLQATCNVHKSAFNDWFSGHLNFQIEHHLFPTMPRHNYHKVAPLVQSLCAKHGIEYQSKPLLSAFADIIHSLKESGQLWLDAYLHQ
  
Inhibitor
Name:
BDBM50576736
Synonyms:
CHEMBL4872983
Type:
Small organic molecule
Emp. Form.:
C16H10F8N4O
Mol. Mass.:
426.264
SMILES:
Cc1ccc2nc(c(-c3cnn(CC(F)(F)C(F)(F)F)c3)c(=O)n2c1)C(F)(F)F
Structure:
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