Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetStearoyl-CoA desaturase
LigandBDBM50060666
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1462110 (CHEMBL3396817)
IC50 66±n/a nM
Citation Sun, SZhang, ZPokrovskaia, NChowdhury, SJia, QChang, EKhakh, KKwan, RMcLaren, DGRadomski, CCRatkay, LGFu, JDales, NAWinther, MD Discovery of triazolone derivatives as novel, potent stearoyl-CoA desaturase-1 (SCD1) inhibitors. Bioorg Med Chem23:455-65 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Stearoyl-CoA desaturase
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:
MPAHLLQDDISSSYTTTTTITAPPSRVLQNGGDKLETMPLYLEDDIRPDIKDDIYDPTYK
DKEGPSPKVEYVWRNIILMSLLHLGALYGITLIPTCKFYTWLWGVFYYFVSALGITAGAH
RLWSHRSYKARLPLRLFLIIANTMAFQNDVYEWARDHRAHHKFSETHADPHNSRRGFFFS
HVGWLLVRKHPAVKEKGSTLDLSDLEAEKLVMFQRRYYKPGLLMMCFILPTLVPWYFWGE
TFQNSVFVATFLRYAVVLNATWLVNSAAHLFGYRPYDKNISPRENILVSLGAVGEGFHNY
HHSFPYDYSASEYRWHINFTTFFIDCMAALGLAYDRKKVSKAAILARIKRTGDGNYKSG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50060666
n/a
NameBDBM50060666
Synonyms:CHEMBL3394696
TypeSmall organic molecule
Emp. Form.C21H19FN6O2S
Mol. Mass.438.478
SMILESCC(c1ccc(F)cc1)n1ncn(-c2nc(C)c(s2)C(=O)NCc2ccccn2)c1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: