On Target XCT_HUMAN 0.40816328/CHEMBL5593128
For the given ligand Chlorogenic acid, we have found in our database that, being scored 0.40816328, the most similar ligand is CHEMBL5593128. Check out the elaboration below.
| Chlorogenic acid (Given Ligand) | CHEMBL5593128 (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 | CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccc(F)cc5)[C@@]3(O)[C@H](O)C(CO)=C[C@H](C4=O)[C@@H]1C2(C)C |
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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 81000800 82900d00 82010300 00380050 00004810 02000040 28000402 00000140 01108848 40000200 40009000 14028028 03811000 00200404 02081008 00820000 02000300 21402010 00102001 00000020 08020a20 05008000 08400014 00201480 80202400 00484200 80001021 00000200 0002800a e4020000 02800210 |