BDBM214781 OPRT inhibitor, 4

SMILES OC1C(O)[C@H](Cn2cc(Br)c(=O)[nH]c2=O)[NH2+][C@@H]1COP(O)(O)=O

InChI Key InChIKey=AIXYKRCVFATGCH-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 = 214781   

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

LigandPNGBDBM214781(OPRT inhibitor, 4)
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 DepthDetails Article
PubMed
TargetOrotate phosphoribosyltransferase(Plasmodium falciparum (isolate 3D7))
Albert Einstein College of Medicine

LigandPNGBDBM214781(OPRT inhibitor, 4)
Affinity DataKi:  370nM ΔG°:  -8.77kcal/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 DepthDetails Article
PubMed