On Target NS5B_HCV1B 0.20532319/CHEMBL3645197
For the given ligand Shikonin, we have found in our database that, being scored 0.20532319, the most similar ligand is CHEMBL3645197. Check out the elaboration below.
| Shikonin (Given Ligand) | CHEMBL3645197 (Similar Ligand) |
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| C/C(C)=C\CC(O)c2cc(=O)c1c(O)ccc(O)c1c2=O | CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3cnn(C)c3C)S(C)(=O)=O)cc2nn1-c1ccc(Br)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 | 00004006 4580de08 20180982 51310e10 210c0000 0000c042 02044000 02001408 00100900 004909e0 0b312024 40118800 80009c33 01600201 808a0c40 000e200e 04268000 82000004 08680008 00225a03 e0120101 1c8b8e38 2080c800 9364001c 02104080 c0000048 00274080 8000108c 0c489104 0046005b e4048088 a81147e0 |