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TargetStearoyl-CoA desaturase
LigandBDBM50424822
Substrate/Competitorn/a
Meas. Tech.ChEMBL_934508 (CHEMBL2321455)
IC50 2249±n/a nM
Citation Zhang, ZSun, SKodumuru, VHou, DLiu, SChakka, NSviridov, SChowdhury, SMcLaren, DGRatkay, LGKhakh, KCheng, XGschwend, HWKamboj, RFu, JWinther, MD Discovery of piperazin-1-ylpyridazine-based potent and selective stearoyl-CoA desaturase-1 inhibitors for the treatment of obesity and metabolic syndrome. J Med Chem56:568-83 (2013) [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:
BDBM50424822
n/a
NameBDBM50424822
Synonyms:CHEMBL2315111
TypeSmall organic molecule
Emp. Form.C23H22F3N7O2
Mol. Mass.485.4617
SMILESCc1cnc(CNC(=O)c2ccc(nn2)N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)cn1
Structure
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