BDBM267945 (3aR,5R,6S,7R,7aR)-5- ((cyclopropylamino)methyl)-2- (dimethylamino)-5,6,7,7a-tetrahydro- 3aH-pyrano[3,2-d]thiazole-6,7-diol::US9718854, 33

SMILES CN(C)C1=N[C@H]2[C@H](O[C@H](CNC3CC3)[C@@H](O)[C@@H]2O)S1

InChI Key InChIKey=PFBWYDRCHHJTNQ-ISUQUUIWSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 267945   

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

US Patent
LigandPNGBDBM267945((3aR,5R,6S,7R,7aR)-5- ((cyclopropylamino)methyl)-2...)
Affinity DataKi:  6nM ΔG°:  -11.2kcal/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
Ligand InfoPC cidPC sid
In DepthDetails US Patent