Reaction Details Report a problem with these data
Target
Stearoyl-CoA desaturase
Ligand
BDBM186596
Substrate
n/a
Meas. Tech.
Enzyme Activity Assay
pH
7.5±n/a
IC50
1±n/a nM
Comments
extracted
Citation
 Lachance, N; Leclerc, J; Li, CS; Moradei, OM Spiro compounds useful as inhibitors of stearoyl-coenzyme A delta-9 desaturase US Patent  US9168248 Publication Date 10/27/2015 
Target
Name:
Stearoyl-CoA desaturase
Synonyms:
Acyl-CoA desaturase | FADS5 | SCD | SCD1 | SCDOS | SCD_HUMAN | Stearoyl-CoA (SCD1) | Stearoyl-CoA desaturase 1
Type:
Enzyme
Mol. Mass.:
41537.27
Organism:
Homo sapiens (Human)
Description:
O00767
Residue:
359
Sequence:
MPAHLLQDDISSSYTTTTTITAPPSRVLQNGGDKLETMPLYLEDDIRPDIKDDIYDPTYKDKEGPSPKVEYVWRNIILMSLLHLGALYGITLIPTCKFYTWLWGVFYYFVSALGITAGAHRLWSHRSYKARLPLRLFLIIANTMAFQNDVYEWARDHRAHHKFSETHADPHNSRRGFFFSHVGWLLVRKHPAVKEKGSTLDLSDLEAEKLVMFQRRYYKPGLLMMCFILPTLVPWYFWGETFQNSVFVATFLRYAVVLNATWLVNSAAHLFGYRPYDKNISPRENILVSLGAVGEGFHNYHHSFPYDYSASEYRWHINFTTFFIDCMAALGLAYDRKKVSKAAILARIKRTGDGNYKSG
  
Inhibitor
Name:
BDBM186596
Synonyms:
US9168248, 28
Type:
Small organic molecule
Emp. Form.:
C19H19BrN6O3S
Mol. Mass.:
491.362
SMILES:
OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCC2(CC1)CCc1c(Br)cccc1O2
Structure:
Search PDB for entries with ligand similarity: