On Target NS5B_HCV1B 0.3540146/CHEMBL3645211
For the given ligand Darunavir, we have found in our database that, being scored 0.3540146, the most similar ligand is CHEMBL3645211. Check out the elaboration below.
| Darunavir (Given Ligand) | CHEMBL3645211 (Similar Ligand) |
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| 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 | CNC(=O)c1c2cc(C3CC3)c(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 |
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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 | 00004006 0480de08 20180902 41310f00 211c0040 00006042 02840800 02001408 00300900 014908e0 09312024 40118800 80008c33 01400201 804a0040 002e300e 04268000 02000004 09608008 00224201 c0100121 1c838e38 2180c800 9360001c 02104480 c0000040 00270280 b400108c 0c488304 0046004b c4248088 a8114ff0 |