On Target NS3_HCV1A 0.093333334/CHEMBL3645714
For the given ligand 3, we have found in our database that, being scored 0.093333334, the most similar ligand is CHEMBL3645714. Check out the elaboration below.
| 3 (Given Ligand) | CHEMBL3645714 (Similar Ligand) |
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| C=CC1C/C=C\SS1 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1SCCN1CC)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 |
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| 00000000 40000010 60000000 40100000 00000000 80200900 00000000 00000400 00080008 00100000 40000000 40400000 10000000 00040000 00000000 00010000 00000000 00040000 00000400 00140001 00000040 00000000 00200000 00000010 00000000 00000100 00000001 80104010 00020000 00002000 04001000 01010000 | 000100a0 4d003000 26104000 0d300400 00010000 00000010 800a0000 20001408 10000000 0216c188 00602000 40013000 0601801e 010c2011 a0400400 00000000 04004400 00000200 46012000 00004209 00000000 30040632 00000203 36900038 10000000 00000000 00004000 90000050 08000000 c0040081 64024014 030122e0 |