On Target PA_INFA 0.27480915/CHEMBL2040554
For the given ligand Ouabain, we have found in our database that, being scored 0.27480915, the most similar ligand is CHEMBL2040554. Check out the elaboration below.
| Ouabain (Given Ligand) | CHEMBL2040554 (Similar Ligand) |
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| C[C@@H]6O[C@@H](O[C@H]5C[C@@H](O)[C@]4(CO)[C@H]3[C@H](O)C[C@]2(C)[C@@H](/C1=C/C(=O)OC1)CC[C@]2(O)[C@@H]3CC[C@]4(O)C5)C(O)[C@H](O)[C@H]6O | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 |
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| 00000040 81000000 00000100 00010300 80280040 00000800 00002880 08000400 01200000 01100028 40000000 40008000 00028000 02800000 00000400 002a9008 00820010 00000000 1341a010 00002001 00100020 00000a80 05008000 08000010 00001400 00000400 00404000 a4000020 00000200 01000002 24a20000 00800010 | 00028000 01000000 00100102 00010600 00000000 00000000 00000080 28000400 01100800 001808c0 08300000 5001d800 86028026 00200000 00000400 00080008 00000000 02000000 02252018 00000201 00000100 18000b90 04008000 00500010 00003800 80002400 00444000 90000000 00004000 00060002 04020000 00822600 |