On Target IKKA_HUMAN 0.472/CHEMBL564009
For the given ligand Chlorogenic acid, we have found in our database that, being scored 0.472, the most similar ligand is CHEMBL564009. Check out the elaboration below.
| Chlorogenic acid (Given Ligand) | CHEMBL564009 (Similar Ligand) |
|---|---|
| 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 | CC(C)=CC(=O)O[C@@H]1[C@H]2C(C)=C[C@H](O)[C@@H](O)[C@]2(C)[C@H]2[C@]3(O)OC[C@@]24[C@@H]1OC(=O)C[C@H]4[C@@H](C)[C@H]3O |
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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 | 00050040 81000000 00000d08 80010300 80280040 00000000 02000800 28000442 01002000 01100028 40040200 40009000 0c028028 02800000 00080404 00289008 00820000 00000020 33412010 0000a001 00000020 10001a00 0500a000 08000010 00201400 00000400 00406000 a0000020 00000200 0000000a 24a20000 00000010 |