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Table 1 Showing various properties of ligand molecules having better score value.

From: Virtual screening and evaluation of Ketol-Acid Reducto-Isomerase (KARI) as a putative drug target for Aspergillosis

  ZINC I.D. Name (IUPC) MW Formula Dock score
1 ZINC00720614 (4R)-6-amino-3-(3, 4-dimethoxyphenyl)-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2,4-dihydropyrano[2,3c]pyrazole-5-carbonitrile 458.44 C24H19FN6O3 184.335
2 ZINC01068126 6-amino-3-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2, 4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 458.44 C24H19FN6O3 164.943
3 ZINC09291743 6-amino-4-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 436.46 C26H20N4O3 161.478
4 ZINC02090678 1-carbazol-9-yl-3-[2-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-ol 387.47 C24H23N3O2 161.176
5 ZINC00663057 2-[2-(4-amino-1,2,5-oxadiazol-3-yl) benzimidazol-1-yl]-N-[(4-methylphenyl) methylideneamino]acetamide 376.39 C19H17N7O2 160.238
6 ZINC02284065 4-[5-(4-amino-1,2,5-oxadiazol-3-yl)-2-butyl-1,2,4-triazol-3-yl]-1,2, 5-oxadiazol-3-amine 291.26 C10H13N9O2 158.524