On Target RT_HIV1 0.43820226/CHEMBL404519
For the given ligand Digitoxin, we have found in our database that, being scored 0.43820226, the most similar ligand is CHEMBL404519. Check out the elaboration below.
| Digitoxin (Given Ligand) | CHEMBL404519 (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)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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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 | 00050040 01000000 00000100 00010300 00280000 00000000 00000000 00000400 00000000 00108008 00000000 40009000 04008008 00800000 00000400 00081008 00820000 00000100 12402000 00000001 00000020 00000a00 01000000 00000010 00000400 00000000 00000000 80000000 00000202 01000002 24020000 00000000 |