On Target IKKB_HUMAN 0.6168224/CHEMBL3114503
For the given ligand Chlorogenic acid, we have found in our database that, being scored 0.6168224, the most similar ligand is CHEMBL3114503. Check out the elaboration below.
| Chlorogenic acid (Given Ligand) | CHEMBL3114503 (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]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=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 | 00050000 81000000 00000100 80010300 000c0040 00200000 82000080 00000402 01800000 01100840 40000000 40009000 14028008 00800000 00000402 00081008 00820400 02000020 2341a018 02002001 00000020 08000a00 01008000 00400010 00201400 80000000 0040e000 c0000400 00400200 8002000a 24020000 00000010 |