Table 1 Properties of the commercial molecules identified by virtual screening and tested in vitro. Compounds C01-C30 were purchased from Specs and Vitas-M Laboratory Ltd., while compounds C31-C54 were purchased from Enamine Ltd.
ID | Vendor ID | Structure | MW (Da) |
|---|---|---|---|
C01 | SPECS: AE-848/30697010 |
| 212.3 |
C02 | SPECS: AN-524/12525005 |
| 338.4 |
C03 | SPECS: AJ-333/36116036 |
| 286.4 |
C04 | SPECS: AJ-264/34032018 |
| 246.3 |
C05 | SPECS: AO-365/15404040 |
| 236.3 |
C06 | SPECS: AL-466/21162036 |
| 441.4 |
C07 | SPECS: AG-205/03647037 |
| 277.3 |
C08 | SPECS: AN-329/40675062 |
| 426.5 |
C09 | SPECS: AJ-292/41694677 |
| 344.4 |
C10 | SPECS: AN-465/42889348 |
| 315.8 |
C11 | SPECS: AN-465/42889125 |
| 281.4 |
C12 | SPECS: AP-263/41946485 |
| 478.6 |
C13 | SPECS: AN-698/42116797 |
| 487.9 |
C14 | SPECS: AN-329/42607819 |
| 357.4 |
C15 | SPECS: AN-465/43421792 |
| 268.4 |
C16 | SPECS: AS-871/43475868 |
| 244.3 |
C17 | VITAS: STK326375 |
| 294.3 |
C18 | VITAS: STK797000 |
| 517.6 |
C19 | VITAS: STL286070 |
| 303.5 |
C20 | VITAS: STK649708 |
| 402.5 |
C21 | VITAS: STK650618 |
| 479.5 |
C22 | VITAS: STK660860 |
| 479.5 |
C23 | VITAS: STK648935 |
| 390.4 |
C24 | VITAS: STK648766 |
| 463.5 |
C25 | VITAS: STK651328 |
| 470.5 |
C26 | VITAS: STK377176 |
| 331.3 |
C27 | VITAS: STK370870 |
| 273.3 |
C28 | VITAS: STK368826 |
| 648.8 |
C29 | VITAS: STK147714 |
| 344.4 |
C30 | VITAS: STL283606 |
| 402.9 |
C31 | ENAMINE: Z135426094 |
| 373.4 |
C32 | ENAMINE: Z54759841 |
| 334.4 |
C33 | ENAMINE: Z595841084 |
| 330.4 |
C34 | ENAMINE: Z595834718 |
| 281.3 |
C35 | ENAMINE: Z54346381 |
| 394.4 |
C36 | ENAMINE: Z3046636218 |
| 302.4 |
C37 | ENAMINE: Z367450928 |
| 355.4 |
C38 | ENAMINE: Z929732930 |
| 305.3 |
C39 | ENAMINE: Z1455661524 |
| 323.4 |
C40 | ENAMINE: Z18356574 |
| 381.5 |
C41 | ENAMINE: Z2385165184 |
| 301.4 |
C42 | ENAMINE: Z1757374096 |
| 301.4 |
C43 | ENAMINE: Z1443877863 |
| 340.4 |
C44 | ENAMINE: Z991585878 |
| 261.3 |
C45 | ENAMINE: Z645334138 |
| 350.4 |
C46 | ENAMINE: Z990000736 |
| 222.3 |
C47 | ENAMINE: Z989410844 |
| 302.4 |
C48 | ENAMINE: Z1757876625 |
| 339.4 |
C49 | ENAMINE: Z1931004203 |
| 384.4 |
C50 | ENAMINE: Z1139246176 |
| 341.4 |
C51 | ENAMINE: Z1127202154 |
| 342.4 |
C52 | ENAMINE: Z1139642738 |
| 323.4 |
C53 | ENAMINE: Z1259041010 |
| 306.3 |
C54 | ENAMINE: Z18242550 |
| 263.3 |
