On Target NS3_HCV1A 0.29651162/CHEMBL3951374
For the given ligand Shikonin, we have found in our database that, being scored 0.29651162, the most similar ligand is CHEMBL3951374. Check out the elaboration below.
| Shikonin (Given Ligand) | CHEMBL3951374 (Similar Ligand) |
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| C/C(C)=C\CC(O)c2cc(=O)c1c(O)ccc(O)c1c2=O | COc1ccc([C@H](N[C@@H](C)CC(N)=O)C2CC2)c(F)c1C(=O)c1ccc(F)cc1 |
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| 00010000 43000c08 20000102 00010202 00010000 40828002 22001081 00000603 81040800 00988840 08100200 40409040 14028002 00200000 00000424 20082008 00000004 02100000 00712010 00020a01 00400100 080202c0 0100c040 00400014 00201000 84004401 00484000 80000000 00000002 00034002 a4000000 00000400 | 000000c0 01000c08 2010010a 02010600 00001201 00020010 12040000 23001200 00000800 00088fc0 08300000 40009200 0c008842 01201000 01200401 08082008 03000200 02000080 00000410 00120201 00000102 18028600 01000000 32400014 00001000 e0000000 08320800 d0800001 00000380 00068012 a2040010 00002600 |