BDBM214794 OPRT inhibitor, 17

SMILES OC[C@H]1C[N@@H+](Cc2ccc(cc2)[N+]([O-])=O)CC1O

InChI Key InChIKey=KLSPGPILACJFFD-UHFFFAOYSA-O

Data  2 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 2 hits for monomerid = 214794   

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

LigandPNGBDBM214794(OPRT inhibitor, 17)
Affinity DataKi:  200nM ΔG°:  -9.13kcal/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

LigandPNGBDBM214794(OPRT inhibitor, 17)
Affinity DataKi:  750nM ΔG°:  -8.35kcal/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