On Target GCR_HUMAN 0.42063493/CHEMBL2040682
For the given ligand Chlorogenic acid, we have found in our database that, being scored 0.42063493, the most similar ligand is CHEMBL2040682. Check out the elaboration below.
| Chlorogenic acid (Given Ligand) | CHEMBL2040682 (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 | CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C |
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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 | 00010042 81000000 00000100 00090300 003c0040 00200004 00000880 0a000402 01200000 01100020 00000000 4000d000 14028028 02800000 00000400 08289008 00820000 80000000 1341a000 00022001 00000021 10000a80 05008000 08000814 00200400 00000000 00404000 a4000020 00000200 0100000a 24a20000 02000000 |