On Target NS5B_HCV1A 0.42023346/CHEMBL3644924
For the given ligand Darunavir, we have found in our database that, being scored 0.42023346, the most similar ligand is CHEMBL3644924. Check out the elaboration below.
| Darunavir (Given Ligand) | CHEMBL3644924 (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=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(N3CCCCC3)cc2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1 |
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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 | 00014092 0dc03400 01300100 07b10f00 20080010 0001a000 080a0004 a0003408 10800200 0052a9e8 00202414 f001b400 0e00f002 01042141 80e20440 001a8008 02866014 00082000 48610850 00007603 c0102100 bc050e10 21002003 3a540038 02012000 0002100e 80000000 902004ec 08808600 a1060093 a4184022 01012270 |