On Target NS3_HCV1B 0.13824885/CHEMBL1170408
For the given ligand 2a, we have found in our database that, being scored 0.13824885, the most similar ligand is CHEMBL1170408. Check out the elaboration below.
| 2a (Given Ligand) | CHEMBL1170408 (Similar Ligand) |
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| CC(=O)c1c(O)cc(O)cc1O | C=CCCCS(=O)(=O)NC(=O)[C@H](CCC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)c(C=C)c1 |
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| 00000001 00000808 20000101 00010200 00000000 00020000 02000000 00000200 00000000 00080840 08000000 40008000 00008002 00000000 00000000 00002008 00000000 02000000 00000000 00020800 00000000 08020200 00000000 00400014 00000000 80000000 00120000 00000000 00000000 00020002 80000000 00000400 | 08012082 65c03008 20184108 15310600 00241021 00018000 96060080 22081408 20800284 105988c0 08202404 4011b000 0f00c802 00442001 c1420441 025ea00c 02020040 02082004 04282810 00465a01 c0400000 bc248e19 30800103 b3440038 02000000 c0000002 08322048 9020406c 0c404384 00260403 a4067c00 01252670 |