Table 1.

Compounds identified from the virtual screen that inhibit SrtA

Compound	ZINC ID	NMR Rank	Ensm- Avg Rank	Weighted Ensm- Avg Rank	Ensm- Best Rank	IC50 (µM)
1	406572	77	27	24	9	47.2 ± 5.9
2	33733644a	145	8	4	13	98.9 ± 7.7
3	46093796	158	18	7	8	114 ± 13
4	41495051	468	4	10	19	132 ± 21
5	28294435b	124	7	8	47	189 ± 31
6	6538309	440	16	26	11	256 ± 21
7	6598689	148	19	12	77	276 ± 20
8	13610765	161	11	35	26	368 ± 29

Ensm-Avg refers to Ensemble-Average; Weighted Ensm-Avg refers to Population-weighted Ensemble-Average; Ensm-Best refers to Ensemble-Best;

^aZINC33733644 identified in the virtual screen was not available for purchase and was deemed too technically difficult to synthesize in house. Therefore, its close analog ChemBridge 7253325 was tested instead;

^bZINC28294435 identified in the virtual screen was not available for purchase and was deemed too technically difficult to synthesize in house. Therefore, its close analog ChemBridge 5303268 was tested instead.