Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) for PDB: 5W13
TargetBeta-lactamase [24-383](Acinetobacter baumannii (g-Proteobacteria))
Grand Valley State University

LigandPNGBDBM152694(SM23)
Show SMILES OB(O)[C@@H](NC(=O)Cc1cccs1)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1
Affinity DataKi:  21.1nM ΔG°:  -43.8kJ/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