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. 2023 Aug 1;32(8):e4712. doi: 10.1002/pro.4712

TABLE 1.

Hits from the first non‐covalent docking screen.

Chemical structure Compound ID IC50 (μM) (solvent) Chemical Structure Compound ID IC50 (μM) (solvent)
graphic file with name PRO-32-e4712-g024.jpg ZINC346371112

214 (DMSO)

98 (ACN)

graphic file with name PRO-32-e4712-g014.jpg ZINC813360541

275 (DMSO)

94 (ACN)

graphic file with name PRO-32-e4712-g010.jpg ZINC894230117

225 (DMSO)

164 (ACN)

graphic file with name PRO-32-e4712-g033.jpg ZINC553840273

200 (DMSO)

88 (ACN)

graphic file with name PRO-32-e4712-g031.jpg ZINC1339780091

224 (DMSO)

121 (ACN)

graphic file with name PRO-32-e4712-g006.jpg ZINC336912805

250 (DMSO)

177 (ACN)

graphic file with name PRO-32-e4712-g004.jpg ZINC433294115 97 (DMSO) graphic file with name PRO-32-e4712-g021.jpg ZINC271072260

115 (DMSO)

143 (ACN)

graphic file with name PRO-32-e4712-g020.jpg ZINC618071006

290 (DMSO)

200 (EtOH)

graphic file with name PRO-32-e4712-g030.jpg ZINC338540162

281 (DMSO)

<30 (ACN)

graphic file with name PRO-32-e4712-g032.jpg ZINC301553312

122 (DMSO)

63 (EtOH)

graphic file with name PRO-32-e4712-g003.jpg ZINC915668084

291 (DMSO)

184 (ACN)