On Target IKBA_HUMAN 0.72/CHEMBL282731
For the given ligand Chlorogenic acid, we have found in our database that, being scored 0.72, the most similar ligand is CHEMBL282731. Check out the elaboration below.
| Chlorogenic acid (Given Ligand) | CHEMBL282731 (Similar Ligand) |
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| O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O | O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O |
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| 00050000 41000008 20000500 00010300 00280040 00000000 82000080 00000400 01800000 01000840 40000000 4010d000 0c00802a 02800000 00000002 00089008 00820400 02000100 3341a018 00020201 00000020 08000a00 05000001 08400010 00001400 80000000 00422000 40000420 00400200 0002010a 04020000 00000010 | 00040000 40000008 20000508 00010200 00240040 00200000 82000080 00000440 01802000 01000840 40000000 4010d080 1c008002 00000000 00000002 00088008 00020400 82000000 21418018 00020201 00000020 08000a00 05000001 08400014 00001400 80000000 0042a000 40000420 00400202 00020108 04000000 02000010 |