BDBM267936 ((3aR,5R,6S,7R,7aR)-6,7-dihydroxy- 2-(methylamino)-5,6,7,7a-tetrahydro- 3aH-pyrano[3,2-d]thiazol-5-yl)methyl diethylcarbamate::US9718854, 12

SMILES CCN(CC)C(=O)OC[C@H]1O[C@@H]2SC(NC)=N[C@@H]2[C@@H](O)[C@@H]1O

InChI Key InChIKey=WZLCJQKLZNSJFJ-UHFFFAOYSA-N

Data  1 KI

  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 = 267936   

Target4-hydroxy-2-oxoglutarate aldolase, mitochondrial(Human)
Alectos Therapeutics

US Patent
LigandPNGBDBM267936(((3aR,5R,6S,7R,7aR)-6,7-dihydroxy- 2-(methylamino)...)
Affinity DataKi:  2.70nM ΔG°:  -11.7kcal/molepH: 7.0 T: 2°CAssay Description:Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2018
Entry Details
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