On Target PA_INFA 0.2670623/CHEMBL2040578
For the given ligand baloxavir, we have found in our database that, being scored 0.2670623, the most similar ligand is CHEMBL2040578. Check out the elaboration below.
| baloxavir (Given Ligand) | CHEMBL2040578 (Similar Ligand) |
|---|---|
| COC(=O)OCOc6c5C(=O)N1CCOC[C@H]1N([C@@H]4c2ccccc2SCc3c(F)c(F)ccc34)n5ccc6=O | CC(NC(=O)c1nc(-c2cnccn2)[nH]c(=O)c1O)c1ccccc1 |
|
|
|
|
|
|
| 008002be 0380ce08 671a6508 93310e00 041e11a8 00720136 184c0404 03247603 02304001 007b68c0 4b690414 708580b8 58009d06 48741008 01021478 022c610d 34025208 0200459a 00380060 001a0203 c0060501 0843ae00 72806000 4250811d 24102410 f0000081 84904860 e0040001 0b083384 04cfc013 94040001 c0c547a8 | 00000202 00811808 40000100 10050e10 00000068 00124006 00c09800 0a003405 16000100 40180860 08290004 40048810 00008802 00708003 00820400 000c200c 08002068 1200b022 80c00000 10400000 80000000 48008600 21800040 4050011c 00044806 c0000680 28000030 80041004 0000410c 07660c03 c4048000 500006a0 |