BDBM16436 6,8-disulfanyloctanoic acid::D,L-Dihydrolipoic acid::Dihydrothioctic acid::dihydrolipoate

SMILES C(CCC(=O)O)C[C@H](CCS)S

InChI Key InChIKey=IZFHEQBZOYJLPK-UHFFFAOYSA-N

Data  1 KI

PDB links: 8 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 16436   

TargetAldo-keto reductase family 1 member B1(Human)
Medical College of Wiscosin

LigandPNGBDBM16436(6,8-disulfanyloctanoic acid | dihydrolipoate | Dih...)
Affinity DataKi:  950nM ΔG°:  -8.21kcal/molepH: 7.0 T: 2°CAssay Description:The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/1/2007
Entry Details Article
PubMed