On Target E2_HCV77 0.116504855/CHEMBL3645729
For the given ligand erastin, we have found in our database that, being scored 0.116504855, the most similar ligand is CHEMBL3645729. Check out the elaboration below.
| erastin (Given Ligand) | CHEMBL3645729 (Similar Ligand) |
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| CC(C)/C1=C/C(C)CC(C)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)C |
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| 00000000 01000000 00000000 00000000 00000000 00000000 00000000 00000402 00000000 00100000 00000000 40000000 00020000 00000000 00000400 00000000 00000000 00000020 00002000 00000001 00000000 00000000 00008000 00000010 00200000 00000000 00404000 80000000 00000000 00000000 24020000 00000000 | 000100a0 09003000 06100000 05200400 00000000 00000010 000a0000 20001408 10000000 0010c188 00602000 50013000 0600801a 01002011 a0400400 00000000 04004000 00000000 46012000 00004201 00000000 30040630 00000003 32900038 00000000 00000000 00000000 90000010 08000000 c0040081 24024004 00012260 |