On Target NS3_HCV1B 0.22727273/CHEMBL1170408
For the given ligand XIE5-2-9, we have found in our database that, being scored 0.22727273, the most similar ligand is CHEMBL1170408. Check out the elaboration below.
| XIE5-2-9 (Given Ligand) | CHEMBL1170408 (Similar Ligand) |
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| CCN(CC)c4ccc(CNCc3ccc(OCc1ccc(Cl)cc1)c(OCc2ccc(Cl)cc2)c3)cc4 | 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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| 0400c002 44000808 20000108 80210600 00001000 00004000 02040000 02001000 00000100 00000840 00200004 40008800 02804886 00018080 01000441 02088008 00042000 02000000 08480000 00020200 40100000 08008120 20000000 00c49000 00002000 c0002000 00260000 80000080 00008300 00060008 40040000 00020200 | 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 |