Table 5 STY3473_Dihydropteroate synthase: Top - 10 ZINC compounds from a library of 12,000 drug-like compounds with minimum energy scores / maximum H-bond
S. No. | ZINC ID | Score (kcal/mol) | 2D-Interaction |
|---|---|---|---|
1 | ZINC00494142 | −6.4818 | Lys221, Asp185, Arg255. |
2 | ZINC1614648 | − 6.2975 | Arg255, Lys221, Gly217, Asp185, Asn115, Met139 |
3 | ZINC1404681 | −6.2576 | Asp185, Met139 |
4 | ZINC31163220 | −6.1968 | Gly217, Asp185, Met139, Asn115 |
5 | ZINC04521524 | −6.0752 | Asn115, Asp185, Met139, Arg255, Lys221 |
6 | ZINC05722559 | −6.0137 | Arg255, Asn115 |
7 | ZINC05468369 | −5.7699 | Arg255, Lys221, Gly217, Asp185, Gly187, Met139 |
8 | ZINC05593430 | −5.6062 | Asp96, Gly58 |
9 | ZINC06659051 | −5.5168 | Met139, Asp56, Lys221 |
10 | ZINC67743322 | −6.0257 | Lys221 |