BDBM10515 5-(1,2-dithiolan-3-yl)pentanoic acid::CHEMBL33864::D,L-Lipoic acid::D,L-Thioctic acid::cid_864::lipoic acid (LA)

SMILES OC(=O)CCCCC1CCSS1

InChI Key InChIKey=AGBQKNBQESQNJD-UHFFFAOYSA-N

Data  1 KI  5 IC50

PDB links: 10 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 = 10515   

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

LigandPNGBDBM10515(5-(1,2-dithiolan-3-yl)pentanoic acid | CHEMBL33864...)
Affinity DataKi:  2.55E+4nM ΔG°:  -6.26kcal/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