On Target PA_INFA 0.28723404/CHEMBL4593284
For the given ligand erastin, we have found in our database that, being scored 0.28723404, the most similar ligand is CHEMBL4593284. Check out the elaboration below.
| erastin (Given Ligand) | CHEMBL4593284 (Similar Ligand) |
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| CCOc1ccccc1N3CC(=O)c2ccccc2/N=C3/C(C)N5CCN(C(=O)COc4ccc(Cl)cc4)CC5 | COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(OC)c(=O)c(O)c2C1=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 | 0000001b 00007e08 70104109 50010e00 100410b8 00120044 4c8c0000 23203401 02300800 801908c0 08390004 40058000 00009806 08500000 011a1c00 020c210c 10004000 02004002 08200000 00060201 40000181 382f8610 32802000 c350801c 08112440 e0000080 00e20060 d0060001 0c040384 0406001b a40c0000 40004600 |