On Target NA_INFB 0.2434457/CHEMBL4175983
For the given ligand erastin, we have found in our database that, being scored 0.2434457, the most similar ligand is CHEMBL4175983. Check out the elaboration below.
| erastin (Given Ligand) | CHEMBL4175983 (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(N3CCCC3)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 | 00074042 09007800 00100100 84010700 20180080 00002810 02080180 3a00140a 11000000 001108c8 40200004 41019001 0402881a 0188a000 00021448 00081008 10a44000 02000060 68c12010 00000201 40100020 38048e80 33008080 02500018 10001401 c0001400 00c04000 90000081 0c008300 00060401 24060000 00800a10 |