On Target KI20A_HUMAN 0.22666667/CHEMBL3754608
For the given ligand Chlorogenic acid, we have found in our database that, being scored 0.22666667, the most similar ligand is CHEMBL3754608. Check out the elaboration below.
| Chlorogenic acid (Given Ligand) | CHEMBL3754608 (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 | COc1ccc2[nH]cc(/C(C#N)=C/c3cccnc3)c2c1 |
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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 | 00000002 00000808 20004108 42010230 00041004 00100000 860c2080 00000400 00400100 00082840 08000104 40028000 00008806 00400000 01000043 0044000c 00400400 02000004 00220400 01020002 40000000 1a008008 20800401 80400010 00042000 80000000 08522100 40000000 00480200 00020002 24040200 000024a0 |