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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