Table 4.
Dock score and RMSD values calculated for the database of 17 compounds with 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA).
| Compound name | PubChem ID | Dock score | RMSD | Compound name | PubChem ID | Dock score | RMSD |
|---|---|---|---|---|---|---|---|
| n-Undecane | 14257 | −4.6636 | 1.8191 | 10-Octadecenal | 5365012 | −5.716 | 1.3214 |
| Cyclohexasiloxane, dodecamethyl | 10911 | −5.8971 | 1.0899 | Butyl-9,12-octadecadienoate | 102296 | −5.8145 | 2.0079 |
| Nonahexacontanoic acid | 590850 | −3.5110 | 1.1000 | 13-Octadecenoic acid, methyl ester | 5364506 | −5.7048 | 2.3566 |
| 2,4-Ditertbutylphenol | 7311 | −4.6286 | 1.6918 | Methyl stearate | 8201 | −5.6709 | 1.5301 |
| 1,2-Benzenedicarboxylic acid, butyl octyl ester | 66540 | −5.7232 | 1.4823 | Hexadecanoic acid,1(hydroxymethyl)1,2-ethanediylester | 99931 | −7.3152 | 2.2839 |
| 2,Myristynoyl pantetheine | 535560 | −6.9806 | 1.4732 | Hexasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11-dodecamethyl | 71338303 | −6.8487 | 2.8723 |
| Palmitic acid, methyl ester | 8181 | −5.6478 | 1.4231 | Sitosterol | 222284 | −5.344 | 1.2484 |
| Phthalic acid, butyl nonyl ester | 6786 | −5.5100 | 1.1786 | Butyl-9,12-octadecadienoate | 102296 | −5.8145 | 2.0079 |
| Phthalic acid, isobutyl octadecyl ester | 6423451 | −7.3511 | 1.9858 |