On Target NS5B_HCV1B 0.18110237/CHEMBL3970609
For the given ligand Digoxin, we have found in our database that, being scored 0.18110237, the most similar ligand is CHEMBL3970609. Check out the elaboration below.
| Digoxin (Given Ligand) | CHEMBL3970609 (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 | CO[C@]1(c2ccc3c(N)ncnn23)O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@]1(C)C#N |
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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 | 0000080a 81004009 e2401512 19010f20 052c8074 0012c024 0381e800 00200a80 1060cb00 010c0060 08108004 4a839040 00000802 02b30020 000e0040 022cba0c 09cb8820 0680000e 1160a008 00665203 40100121 2c008860 a5801cc6 08600110 40000400 80002102 160880c0 a40508a0 0040020e 00c6cc16 41600280 6220ac82 |