BDBM50549113 CHEMBL4747065

SMILES c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N

InChI Key InChIKey=QKKNXONMXNVCIX-UHFFFAOYSA-N

Data  2 IC50

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 2 hits for monomerid = 50549113   

TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50549113(CHEMBL4747065)
Affinity DataIC50: 9.08E+3nMAssay Description:Inhibition of histidine-tagged Pseudomonas aeruginosa LpxC (1-303) expressed in Escherichia coli BL21 (DE3) using UDP-3-O-(R-3-hydroxydecanoyl)-N-ace...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetUDP-3-O-acyl-N-acetylglucosamine deacetylase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Taisho Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50549113(CHEMBL4747065)
Affinity DataIC50: 1.28E+4nMAssay Description:Displacement of (S)-N-(2-(N-(3-biphenyl-4-ylcarboxamido-4-(hydroxyamino)-4-oxobutyl)sulfamoyl)ethyl)-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)