Discovery of YopE Inhibitors by Pharmacophore-Based Virtual Screening and Docking

Table 2

Scores of pharmacophore hypotheses generated in Phase.

ID	Survival	Site	Vector	Volume	Selectivity	Number of Matches
AAADR.21	3.858	0.99	1.000	0.865	1.147	6
AAARR.87	3.759	0.95	0.953	0.859	1.467	5
AADRR.98	3.749	0.94	0.955	0.855	1.551	5
AAARR.81	3.738	0.92	0.949	0.864	1.456	5
ADDRR.61	3.726	0.91	0.950	0.865	1.643	5
AADDR.43	3.723	0.90	0.974	0.846	1.200	5
AADRR.23	3.719	0.91	0.948	0.858	1.457	5
AAARR.4	3.708	0.91	0.946	0.856	1.422	5
AADRR.46	3.707	0.94	0.926	0.838	1.488	5
AADDR.10	3.704	0.94	0.926	0.835	1.231	5
AADRR.127	3.437	0.72	0.892	0.821	1.591	5
ADDRR.67	3.416	0.74	0.888	0.791	1.624	5
AADDR.56	3.405	0.72	0.891	0.792	1.304	6
ADDRR.72	3.398	0.72	0.867	0.812	1.604	5
AADDR.58	3.396	0.73	0.865	0.803	1.329	5
AAAAR.5	3.072	0.50	0.858	0.709	1.320	5
ADDRR.9	2.997	0.56	0.791	0.645	1.601	5
AADRR.19	2.904	0.58	0.680	0.643	1.401	5
AADDR.11	2.593	0.35	0.705	0.537	1.282	5
AAADR.2	2.155	0.14	0.617	0.398	1.138	6