On Target COMT_HUMAN 0.278481/CHEMBL3425721
For the given ligand Baloxavir, we have found in our database that, being scored 0.278481, the most similar ligand is CHEMBL3425721. Check out the elaboration below.
| Baloxavir (Given Ligand) | CHEMBL3425721 (Similar Ligand) |
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| COC(=O)OCOc6c5C(=O)N1CCOC[C@H]1N([C@@H]4c2ccccc2SCc3c(F)c(F)ccc34)n5ccc6=O | OC1=CN2C(=CC1=O)CSc3ccccc23 |
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| 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 00800208 60026500 10102621 00040028 00400004 04802000 00201000 02160000 800148c0 00440004 62038000 00009804 40440200 02020040 0204000c 04000008 82004304 80200020 00060008 c0000002 1840a010 20800400 8158000d 02206400 d0000040 00020068 00040000 0400100c 00060008 10a40001 40230020 |