Reaction Details Report a problem with these data
Target
Acyl-CoA (8-3)-desaturase
Ligand
BDBM50576735
Substrate
n/a
Meas. Tech.
ChEMBL_2127757 (CHEMBL4837102)
IC50
2.4±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:
BDBM50576735
Synonyms:
CHEMBL4868627
Type:
Small organic molecule
Emp. Form.:
C15H9ClF6N4O
Mol. Mass.:
410.702
SMILES:
FC(F)(F)CCn1cc(cn1)-c1c(nc2ccc(Cl)cn2c1=O)C(F)(F)F
Structure:
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