The properties and energy score of the potential MALT1 allosteric inhibitors.
| ZNIC ID | Chemical name | Structure | Molecular formula | log P | M wt | Energya (kcal mol−1) |
|---|---|---|---|---|---|---|
| ZINC000003794794 | Mitoxantrone |
|
C22H28N4O6 | −0.139 | 444.488 | −14.35 |
| ZINC000003927822 | Lurasidone |
|
C28H36N4O2S | 4.256 | 492.682 | −13.56 |
| ZINC000001481956 | Paliperidone |
|
C23H27FN4O3 | 3.081 | 426.492 | −13.16 |
| ZINC000000538312 | Risperdal |
|
C23H27FN4O2 | 3.59 | 410.493 | −13.07 |
a
Estimated free energy of binding of virtual screening results by AutoDock program.