On Target PR_HIV1 0.22680412/CHEMBL3645125
For the given ligand Digoxin, we have found in our database that, being scored 0.22680412, the most similar ligand is CHEMBL3645125. Check out the elaboration below.
| Digoxin (Given Ligand) | CHEMBL3645125 (Similar Ligand) |
|---|---|
| C[C@H]8O[C@@H](O[C@@H]7[C@@H](C)O[C@@H](O[C@@H]6C(C)O[C@@H](O[C@H]5CC[C@@]1(C)[C@H](CC[C@@H]3[C@@H]1C[C@@H](O)[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 | COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CC3OCOCO[C@@H]3C2)cc1 |
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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 | 00000010 01c05408 2110010a 01b10700 00281080 00028000 02002800 a0000004 00742a00 014809e0 08302000 60018000 00008002 02200101 81e80001 003a0008 10822000 02080000 11408800 81027603 80100100 18280c90 07100040 d9500058 02000000 8000100e 00800000 3420008c 04000600 2106001b 80a00000 00012670 |