On Target NS3_HCV1A 0.18055555/CHEMBL3645714
For the given ligand 2, we have found in our database that, being scored 0.18055555, the most similar ligand is CHEMBL3645714. Check out the elaboration below.
| 2 (Given Ligand) | CHEMBL3645714 (Similar Ligand) |
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| C=CCS(=O)CC([NH3+])C(=O)[O-] | 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 44000000 20020020 00100400 01000000 00000000 00000000 00000400 00000000 00044000 00000000 40003000 00018000 00040000 80000000 00080008 04000000 00000000 00004000 00600000 40000000 00000a04 03000600 000c0010 00000200 00000000 00000000 00000010 00001000 00040120 04000000 03010020 | 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 |