. 2018 Nov 7;59(1):18–24. doi: 10.1021/acs.jcim.8b00633

Table 1. Experimental Inhibition Constants and Predicted Docking Scores of DADMe-Immucillin A Derivatives on E. Coli MTN.

inhibitor: DADMe-Immucillin A derivatives	expt K_d (pM)²⁶	docking score
methylthio-(TDI)	2	–8.7
benzylthio-(DF9)	0.46	–10.3
4-Cl-phenylthio-(4CT)	0.047	–10.9