On Target NS5B_HCV1B 0.2885246/CHEMBL3645182
For the given ligand erastin, we have found in our database that, being scored 0.2885246, the most similar ligand is CHEMBL3645182. Check out the elaboration below.
| erastin (Given Ligand) | CHEMBL3645182 (Similar Ligand) |
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| CCOc1ccccc1N3CC(=O)c2ccccc2/N=C3/C(C)N5CCN(C(=O)COc4ccc(Cl)cc4)CC5 | CNC(=O)c1c2cc(C3CC3)c(N(CCN3CCOCC3)S(C)(=O)=O)cc2nn1-c1ccc(Oc2ccc(F)cc2)cc1 |
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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 | 00004086 00805e08 2018092a c7310e00 010c1080 00004052 02060000 02001408 00100900 00090ac0 09312024 40118800 80008c23 01403201 811a1049 000ea10c 14268000 02000004 08602008 00624201 c0500101 3c838e38 32801800 a360003e 02104480 c0000040 00270080 8020108d 0c488304 0046804b c4048480 a31147e0 |