On Target NS5B_HCV2A 0.2231405/CHEMBL3127326
For the given ligand erastin, we have found in our database that, being scored 0.2231405, the most similar ligand is CHEMBL3127326. Check out the elaboration below.
| erastin (Given Ligand) | CHEMBL3127326 (Similar Ligand) |
|---|---|
| CCOc1ccccc1n5c(C(C)N3CCN(C(=O)COc2ccc(Cl)cc2)CC3)nc4ccccc4c5=O | COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C |
|
|
|
|
|
|
| 0400a00a 00002208 20400008 14300e12 800c10e0 00104120 02009802 0000b009 06100100 400008e0 0125800c 4081c800 0280b806 00602200 011610c1 020c410c 18000018 80008402 00600000 00020000 600000c1 38078738 33800061 83300418 00102000 c0080040 20108008 00040001 0c004304 00460009 40640000 e01266a2 | 00014002 01003800 00100122 c4010600 20000000 0001a010 00000000 22001008 00900a00 00080ac0 08380004 4001f000 0e008812 0030a001 80020440 00120008 00062000 02080000 08002010 00000201 40100100 38048e30 20012003 0250001a 00000000 c0000002 00000000 900000a0 08008302 00060003 a0044000 00002600 |