Reaction Details Report a problem with these data
Target
Acyl-CoA (8-3)-desaturase
Ligand
BDBM50116770
Substrate
n/a
Meas. Tech.
ChEMBL_1513296 (CHEMBL3611102)
IC50
173±n/a nM
Citation
 Baugh, SD; Pabba, PK; Barbosa, J; Coulter, E; Desai, U; Gay, JP; Gopinathan, S; Han, Q; Hari, R; Kimball, SD; Nguyen, HV; Ni, CY; Powell, DR; Smith, A; Terranova, KM; Wilson, A; Yu, XC; Lombardo, VK Design, synthesis, and in vivo activity of novel inhibitors of delta-5 desaturase for the treatment of metabolic syndrome. Bioorg Med Chem Lett 25:3836-9 (2015) [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:
BDBM50116770
Synonyms:
CHEMBL3608704
Type:
Small organic molecule
Emp. Form.:
C15H14ClN
Mol. Mass.:
243.731
SMILES:
Clc1cccc(NC2CCc3ccccc23)c1
Structure:
Search PDB for entries with ligand similarity: