Docking score and H-bond interactions of lead compound 3, ICA38 and synthesized compounds 8i, 13c, 13d and 18b in the MmpL3 binding pocket.

Compounds	Docking score (kcal mol−1)	No. of H-bonds	Distance	Amino acids	Ligand atom
8i	−14.05	2	2.48	Asp645	NH of amide
			2.68	Asp645	NH of quinolone
13c	−11.97	1	2.49	Asp645	NH of amide
13d	−12.01	1	2.39	Asp645	NH of amide
18b	−13.99	1	2.39	Asp645	NH of amide
3	−13.16	2	2.39	Asp645	NH of amide
			2.75	Asp645	NH of indole
ICA38	−22.71	1	2.54	Asp645	NH of amide