On Target NS3_HCV1A 0.09375/CHEMBL3645629
For the given ligand aspirine, we have found in our database that, being scored 0.09375, the most similar ligand is CHEMBL3645629. Check out the elaboration below.
| aspirine (Given Ligand) | CHEMBL3645629 (Similar Ligand) |
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| ON1C/[O+]=I\C1 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(C)OC |
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| 00404000 00000015 00000000 00000000 00000000 00000000 00000000 00001000 00000200 00000080 00200000 00010000 00000004 02000000 00000000 00100018 00000000 00000000 00000000 00005002 00000000 00000020 00000000 04000010 00000000 00000000 00000000 00140000 00000000 00440000 00200001 00000000 | 000100a0 09003010 06100000 05200401 00000000 00000410 000a0000 20001408 30008000 0011c188 00602000 50013000 0600805a 01002011 a0400400 00000018 04004000 00200000 46012000 00014201 00000000 30040630 00000003 32900038 00000000 00000000 01000000 90100010 080000c0 c0040089 24024004 00012360 |