BDBM214789 OPRT inhibitor, 12

SMILES OC1[C@@H](COP(O)(O)=O)[NH2+][C@H](C1O)c1cnccc1C(O)=O

InChI Key InChIKey=JXRLRPXJSHOZDZ-UHFFFAOYSA-O

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 214789   

TargetUridine 5'-monophosphate synthase(Human)
Albert Einstein College of Medicine

LigandPNGBDBM214789(OPRT inhibitor, 12)
Affinity DataKi:  4.30E+3nM ΔG°:  -7.32kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/1/2017
Entry Details Article
PubMed
TargetOrotate phosphoribosyltransferase(Plasmodium falciparum (isolate 3D7))
Albert Einstein College of Medicine

LigandPNGBDBM214789(OPRT inhibitor, 12)
Affinity DataKi:  1.55E+4nM ΔG°:  -6.56kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/1/2017
Entry Details Article
PubMed