On Target NS3_HCV1B 0.2761905/CHEMBL1170417
For the given ligand erastin, we have found in our database that, being scored 0.2761905, the most similar ligand is CHEMBL1170417. Check out the elaboration below.
| erastin (Given Ligand) | CHEMBL1170417 (Similar Ligand) |
|---|---|
| CCOc1ccccc1N3CC(=O)c2ccccc2/N=C3/C(C)N5CCN(C(=O)COc4ccc(Cl)cc4)CC5 | C=Cc1cc([C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)NS(=O)(=O)c2ccccc2C=C)ccc1Oc1cc(-c2ccccc2)nc2cc(OC)ccc12 |
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| 0400e042 00002818 20104128 04010622 a0001088 00210000 121c0050 01420008 000002c0 00080a43 1a270004 4400ea20 12809006 40002009 811210c1 00184008 10048800 82000420 09000010 00420200 50122000 38270700 b2402023 8342881f 00893000 88100080 60900408 00000881 0c089290 00862003 80005c01 24022700 | 08012092 41c03008 21104108 15b10600 002c1021 00018008 96060080 22081408 80800284 1049a8c0 08202004 6001b000 0f008802 0040a001 c1720441 025ea00c 020220c0 02082004 04682810 80467e01 c0400000 38248e18 30800003 bb400038 02002000 c0000006 88322048 9020406c 0c404784 20260403 a4067c02 00252670 |