BDBM11304 Compound 2 analog 15::MurB inhibitor (compound 16)::[5-(2-phenylethynyl)furan-2-yl]({[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl})methanone::acs.jmedchem.1c00409_ST.327::med.21724, Compound 148

SMILES FC(F)(F)c1nnc(SC(=O)c2ccc(o2)C#Cc2ccccc2)[nH]1

InChI Key InChIKey=VNGWUVBXUIDQTK-UHFFFAOYSA-N

Data  4 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  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 5 hits for monomerid = 11304   

TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
National Defense Medical Center

LigandPNGBDBM11304(Compound 2 analog 15 | MurB inhibitor (compound 16...)
Affinity DataIC50:  3.00E+3nMAssay Description:The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...More data for this Ligand-Target Pair
TargetUDP-N-acetylenolpyruvoylglucosamine reductase(Staphylococcus aureus (Firmicutes))
University Of Ljubljana

LigandPNGBDBM11304(Compound 2 analog 15 | MurB inhibitor (compound 16...)
Affinity DataKd:  170nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
National Defense Medical Center

LigandPNGBDBM11304(Compound 2 analog 15 | MurB inhibitor (compound 16...)
Affinity DataIC50:  3.00E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
National Defense Medical Center

LigandPNGBDBM11304(Compound 2 analog 15 | MurB inhibitor (compound 16...)
Affinity DataIC50:  3.00E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
National Defense Medical Center

LigandPNGBDBM11304(Compound 2 analog 15 | MurB inhibitor (compound 16...)
Affinity DataIC50:  3.00E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair