On Target NA_INFB 0.3220339/CHEMBL79499
For the given ligand Shikonin, we have found in our database that, being scored 0.3220339, the most similar ligand is CHEMBL79499. Check out the elaboration below.
| Shikonin (Given Ligand) | CHEMBL79499 (Similar Ligand) |
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| C/C(C)=C\CC(O)c2cc(=O)c1c(O)ccc(O)c1c2=O | CC[C@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O |
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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 | 00070040 09007008 00100102 80010700 00180080 00000800 02080180 38000402 11000800 001808c8 48300000 41019001 0402801a 01a80000 00001408 00081008 10a04000 02000060 60c12010 00000201 00000120 38040e80 13008040 02500018 10001400 80001400 00c04000 90000001 0c000202 00060403 04020000 00000610 |