On Target PADI4_HUMAN 0.23170732/CHEMBL5829152
For the given ligand Chlorogenic acid, we have found in our database that, being scored 0.23170732, the most similar ligand is CHEMBL5829152. Check out the elaboration below.
| Chlorogenic acid (Given Ligand) | CHEMBL5829152 (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 | COC(=O)/C=C/c1ccc(-c2ccc3cc(-c4nc5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)cc(OC)c5n4C)n(CC4CC4)c3n2)cc1 |
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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 | 0001e002 4500b808 60104108 10050600 000c1070 000060c4 86800280 2218140c 01a00110 b00118c0 4120800c 50078800 06009802 09d08003 012244c7 220c000c 00028408 1200200c 0c698018 10460205 c1100000 78068e30 31802001 c274811c 02005800 c1000200 00402060 d0000440 0840430d 04460c41 e40c9a00 002406b8 |