On Target CASP1_HUMAN 0.35877863/CHEMBL400514
For the given ligand Chlorogenic acid, we have found in our database that, being scored 0.35877863, the most similar ligand is CHEMBL400514. Check out the elaboration below.
| Chlorogenic acid (Given Ligand) | CHEMBL400514 (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 | C=C1[C@@]2(C)C[C@H]3C(C)=C4CC(=O)OC(C)(C)C4=CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=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 81040000 00800900 80010300 c0380000 00200801 02000040 08000402 00000140 00128008 40000200 4000d000 14028028 00800000 00000404 0008100c 00820000 00000000 32402090 0200a001 00000030 00001a00 0100a000 00000012 00201400 00000400 00406200 80000000 00000200 80000002 24020000 00800010 |