BDBM152694 SM23

SMILES OB(O)[C@@H](NC(=O)Cc1cccs1)c1cccc(c1)C(O)=O

InChI Key InChIKey=HQLQTGGLHBYZSA-ZDUSSCGKSA-N

Data  1 KI  1 Kd  1 ITC

PDB links: 6 PDB IDs match 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 1 hit for monomerid = 152694   

TargetBeta-lactamase [24-383](Acinetobacter baumannii (g-Proteobacteria))
Grand Valley State University

LigandPNGBDBM152694(SM23)
Affinity DataKi:  21.1nM ΔG°:  -10.5kcal/mole Kd:  90nMpH: 7.4 T: 2°CAssay Description:Steady state kinetics assays were performed on a Cary 100 UV−vis spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4) with 2 nM ADC-7....More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 152694   

CellADC-7 beta-lactamase (ADC-7)(Acinetobacter baumannii (g-Proteobacteria))
Grand Valley State University

SyringePNGBDBM152694(SM23)
ITC DataΔG°: -9.60kcal/mole −TΔS°: -4.18kcal/mole ΔH°: -5.49kcal/mole logk: 1.10E+7
pH: 7.4 T: 25.00°C