Table 4 STY2284_Imidazole glycerol phosphate 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 Interactions |
|---|---|---|---|
1 | ZINC09319798 | −5.7257 | Arg181, Gly183 |
2 | ZINC71771245 | −5.5123 | Ala187 |
3 | ZINC04876827 | −5.4462 | Trp118, Pro178 |
4 | ZINC05002395 | −5.2251 | Val142, Arg181 |
5 | ZINC36585021 | −5.2436 | Gly183 |
6 | ZINC67743322 | −5.2282 | Gly183, Arg181, Tyr140 |
7 | ZINC04521524 | −5.1224 | Glu180, Arg181 |
8 | ZINC40266587 | −5.0669 | Tyr140 |
9 | ZINC08655469 | −5.0449 | Gly48, Glu89, Val142 |
10 | ZINC05593430 | −5.0485 | Gly183 |