On Target NS3_HCV1B 0.1923077/CHEMBL1170417
For the given ligand MOLECULE 20, we have found in our database that, being scored 0.1923077, the most similar ligand is CHEMBL1170417. Check out the elaboration below.
| MOLECULE 20 (Given Ligand) | CHEMBL1170417 (Similar Ligand) |
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| Nc2c(S(=O)(=O)O)cc1cc(S(=O)(=O)O)ccc1c2/N=N/c6ccc(c5ccc(/N=N/c3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)c5)cc6S(=O)(=O)O | C=Cc1cc([C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)NS(=O)(=O)c2ccccc2C=C)ccc1Oc1cc(-c2ccccc2)nc2cc(OC)ccc12 |
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| 00002002 00800800 40000100 00d10200 00005300 00030000 00000000 00000200 00001a00 00080840 00002004 60008010 00000000 08200002 802603d0 00000000 00028100 02804404 44000000 00002000 c0000001 08120008 30000012 09582008 00014000 81000000 80100410 50000040 00104000 00060001 02800000 00010020 | 08012092 41c03008 21104108 15b10600 002c1021 00018008 96060080 22081408 80800284 1049a8c0 08202004 6001b000 0f008802 0040a001 c1720441 025ea00c 020220c0 02082004 04682810 80467e01 c0400000 38248e18 30800003 bb400038 02002000 c0000006 88322048 9020406c 0c404784 20260403 a4067c02 00252670 |