Compounds IRAK4 (6EGA) DS MM-GBSA NHA LE Methylcyclohexane −5.343 −28.5422 7 4.08 Phenol −6.799 −30.4637 7 4.35 Sulcatone −4.611 −34.0534 9 3.78 Butanoic acid, 2,3-dimethyl-, ethyl ester −5.338 −27.5643 10 2.76 1,2-Cyclohexanedione −5.827 −26.2939 8 3.29 4-Methyl-1,5-heptadiene −2.392 −31.5398 8 3.94 Catechol −6.363 −35.5712 8 4.45 Coumaran −7.179 −34.9848 9 3.89 Hydroquinone −6.568 −30.1474 8 3.77 p-Vinylguaiacol −6.906 −45.639 11 4.15 Gamma-pyronene −5.242 −25.8647 10 2.59 4-Ethylresorcinol −6.961 −33.0487 10 3.30 2-(2-Hydroxy-2-phenylethyl)-3,5,6-trimethylpyrazine −7.589 −47.6142 18 2.65 Ethanone, 1-(3,4-dimethoxyphenyl)- −7.704 −38.3452 13 2.95 Spathulenol — — — — Caryophyllene oxide — — — — Cyclopentanecarboxaldehyde, 2-methyl-3-methylene- −6.889 −34.1045 9 3.79 Epiglobulol — — — — 4(1H)-Pyrimidinone, 6-hydroxy- −6.247 −19.6834 8 2.46 Cyclododecanone, 2-methylene- — — — — 2,3-Dehydro-4-oxo-7,8-dihydro-beta-ionone −6.224 −26.8822 15 1.79 Diepicedrene-1-oxide — — — — Coniferol −7.225 −49.0664 13 3.77 Methyl 6,9,12-hexadecatrienoate −3.841 −51.8616 19 2.73 Phytol −4.092 −37.6416 21 1.79 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]- — — — — (Z,E)-Farnesol −4.144 −53.635 16 3.35 Geranyl acetate −7.613 −46.7163 24 1.95 Farnesol acetate −4.638 −48.5373 24 2.02 3-Furaldehyde −6.301 −28.4227 7 4.06 trans-13-Docosenamide −6.62 −55.939 24 2.33 Squalene −7.603 −73.1988 30 2.44 Chola-5,22-dien-3-ol, (3.beta.,22Z)- −7.25 −36.8492 25 1.47 Curan-17-oic acid, 2,16-didehydro-20-hydroxy-19-oxo-, methyl ester — — — — Geranylgeraniol −4.383 −54.1471 21 2.58 2-Hydrazino-8-hydroxy-4-phenylquinoline −6.639 −35.0611 19 1.85 Cycloartenol −3.914 −28.0451 31 0.90 Ursa-9(11),12-dien-3-ol — — — — Urs-12-ene −5.048 −24.8357 30 0.83 Stigmast-4-en-3-one −7.199 −25.6365 30 0.85 Ursa-9(11),12-dien-3-one — — — — C(14a)-homo-27-nor-14-beta-gammaceran-3-alpha-ol — — — — Friedelin — — — — Longipinane, (E)- — — — — Lanosterol −6.524 −29.9751 31 0.97 Aspirin −6.798 −31.0373 13 2.39
