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. 2021 Mar 25;12:564056. doi: 10.3389/fgene.2021.564056

TABLE 11.

AraC family transcriptional regulator and its interaction profile with docked compounds, their ZINC ID, minimized energy, number of interactions, dock score, and interactive residues.

ZINC ID Number of interactions Interacting residues Minimized energy Dock score
ZINC06691773 3 Arg 242 –1.55  –10.4279
ZINC13552228 3 Asp 248   –4.316     –8.72414
ZINC08627906 3 Asn 205, Ile 198 –10.822     –8.54297
ZINC15768388 2 Lys 245, Asn 205   –3.968 –11.6379
ZINC18164213 2 Tyr 202, Lys 245 –15.968 –10.3928
ZINC18141362 2 Asn 199, Val 241 –12.472 –10.4473
ZINC71603518 2 Asp 248   –6.232    –9.01625
ZINC71781167 3 Arg 242, Asn 271 –10.953  –8.5983
ZINC70632388 3 Arg 242, Gly 265, Asn 267 –10.747    –8.05192
ZINC71618824 2 Arg 242 –16.738    –8.03541