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TargetStearoyl-CoA desaturase
LigandBDBM50306126
Substrate/Competitorn/a
Meas. Tech.ChEMBL_606058 (CHEMBL1071957)
IC50 0.45±n/a nM
Citation Uto, YKiyotsuka, YUeno, YMiyazawa, YKurata, HOgata, TDeguchi, TYamada, MWatanabe, NKonishi, MKurikawa, NTakagi, TWakimoto, SKono, KOhsumi, J Novel spiropiperidine-based stearoyl-CoA desaturase-1 inhibitors: Identification of 1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl}-5-(trifluoromethyl)-3,4-dihydrospiro[chromene-2,4'-piperidine]. Bioorg Med Chem Lett20:746-54 (2010) [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:
BDBM50306126
n/a
NameBDBM50306126
Synonyms:CHEMBL605412 | N-(2-hydroxy-2-(pyridin-3-yl)ethyl)-6-(5-(trifluoromethyl)spiro[chroman-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
TypeSmall organic molecule
Emp. Form.C26H26F3N5O3
Mol. Mass.513.5115
SMILESOC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCc1c(O2)cccc1C(F)(F)F)c1cccnc1
Structure
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