On Target NS3_HCV1B 0.36298934/CHEMBL1170417
For the given ligand Darunavir, we have found in our database that, being scored 0.36298934, the most similar ligand is CHEMBL1170417. Check out the elaboration below.
| Darunavir (Given Ligand) | CHEMBL1170417 (Similar Ligand) |
|---|---|
| CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc(N)cc4 | 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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| 00000012 01c07401 0110050a 01b10700 002800d0 00028000 00002800 a8000044 00742a00 014809e0 08302004 60018010 00008002 02200101 80e80040 003a9008 10822000 02080000 11408800 01007603 c0100120 18280c90 27100040 d9500058 02000400 8000100e 00000000 3420006c 04000600 2006001b 80200000 00012670 | 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 |