On Target CDK5_HUMAN 0.3359375/CHEMBL178737
For the given ligand Baloxavir, we have found in our database that, being scored 0.3359375, the most similar ligand is CHEMBL178737. Check out the elaboration below.
| Baloxavir (Given Ligand) | CHEMBL178737 (Similar Ligand) |
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| COC(=O)OCOc6c5C(=O)N1CCOC[C@H]1N([C@@H]4c2ccccc2SCc3c(F)c(F)ccc34)n5ccc6=O | O=C(N1CCOCC1)N2CCn3cc(C4=C(C(=O)NC4=O)c5cnc6ccccn56)c7cccc(C2)c37 |
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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 | 1400825a 0180fc00 00104120 d3310e18 040450e5 08004100 9000e284 0a00340c 01e00180 004b2ac0 29208104 40819800 9301b802 00d10002 c1061c4a 024c014c 38064400 9a800100 00238440 40800202 c1020900 3a238f38 33a00001 9351001c 08043400 c2000381 08c0a041 d4010300 0c400304 00460013 4c0c7200 a00026a0 |