On Target NS5B_HCV1A 0.18137255/CHEMBL3644879
For the given ligand Digitoxin, we have found in our database that, being scored 0.18137255, the most similar ligand is CHEMBL3644879. Check out the elaboration below.
| Digitoxin (Given Ligand) | CHEMBL3644879 (Similar Ligand) |
|---|---|
| C[C@H]8O[C@@H](O[C@@H]7[C@@H](C)O[C@@H](O[C@@H]6[C@@H](C)O[C@@H](O[C@H]5CC[C@@]1(C)[C@H](CC[C@@H]3[C@@H]1CC[C@]4(C)[C@@H](/C2=C/C(=O)OC2)CC[C@]34O)C5)C[C@@H]6O)C[C@@H]7O)C[C@H](O)[C@@H]8O | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CN(CCc2ccccc2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1 |
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| 00000040 81000000 00000100 00810300 80280040 00000800 00002880 08000440 01202000 01100028 40000000 40008000 00028000 02800000 00000400 00289008 00820010 00000000 1341a010 00002001 00100020 00000a80 05008000 08000010 00001400 00000400 00404000 a4000020 00000200 01000002 24a20000 00800010 | 00010080 0d403400 00100100 05310f00 00080000 00018000 000a0004 a0003408 10800280 005a89e8 08202400 4001b000 0e00f002 01042101 80400400 001a8008 02824018 02082000 40610850 00004201 00000100 bc250e10 01000003 b3440038 02013000 80001002 00000000 9020002c 0c000200 81060093 a4184000 01012670 |