On Target NA_A-H3N8 0.2238806/CHEMBL4282553
For the given ligand erastin, we have found in our database that, being scored 0.2238806, the most similar ligand is CHEMBL4282553. Check out the elaboration below.
| erastin (Given Ligand) | CHEMBL4282553 (Similar Ligand) |
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| CCOc1ccccc1N3CC(=O)c2ccccc2/N=C3/C(C)N5CCN(C(=O)COc4ccc(Cl)cc4)CC5 | CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(Oc3ccccc3)cc2)[C@H]1NC(C)=O |
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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 | 00070040 09007008 20100108 84010700 00181080 00000800 020c0180 3a00140a 11000000 001108c8 40200000 41019001 0402881a 01882000 01001409 00081008 10a04000 02000060 60c12010 00020201 00400020 38048e80 13008080 02500018 10001401 c0001400 00e24000 90200001 0c000300 00060401 24060400 00800a10 |