Table 1.

Commercial compounds identified by FlexX studies to be NAD synthetase inhibitors at or below 300 μM, the subsites in which they were predicted to bind, and their biological activities.

ID	MW	NADs subsite	IC50 (μM)	MIC100 (μM)
5379	278.27	NaAD	51	120
5588	466.84	ATP	78.5	> 215
5589	378.34	center	136.6	> 264
5591	364.32	center	160	> 274
5597	446.48	ATP	86.1	> 224
5599	356.40	center	168.1	3.75
5604	450.54	ATP	141	> 222
5605	368.37	ATP	145.9	> 259
5606	422.37	center	141.1	> 237
5609	490.61	ATP	70	> 204
5615	449.40	ATP	55.4	> 223
5616	404.21	center	207.5	> 247
5617	438.29	center	77.5	15
5660	258.23	NaAD	22.5	> 387
5679	303.71	NaAD	262	> 329
5684	440.26	NaAD	99.5	> 227
5691	430.25	NaAD	106	> 232
5707	424.43	ATP	253	> 240
5710	327.39	NaAD	128.5	> 240
5724	443.44	NaAD	290.6	> 240
5731	506.92	center	270.7	> 240
5737	354.39	NaAD	235.3	> 240
5749	527.76	NaAD	219.8	> 240
5763	472.89	NaAD	232.1	> 240
5764	505.96	NaAD	97.2	> 240
5768	455.50	center	170.5	> 240
5775	432.33	NaAD	290	> 240
5785	426.39	center	108.6	> 240
5792	346.35	NaAD	76	> 240
5793	465.52	NaAD	78.8	> 240
5798	472.68	NaAD	61.8	> 240
5799	479.45	NaAD	174.8	> 240
5802	411.42	NaAD	225.2	> 240
5806	413.44	NaAD	67.8	> 240
5807	401.40	NaAD	123.9	> 240
5815	404.47	NaAD	185.6	> 240
5818	494.51	NaAD	65.7	> 240
5821	411.80	NaAD	103.6	> 240
5822	424.46	NaAD	107.1	> 240
5824	481.32	NaAD	10	1.9
5830	441.49	NaAD	198.2	> 240
5831	451.89	NaAD	243.3	> 240
5833	483.51	NaAD	78.3	15