On Target RT_HIV1 0.39175257/CHEMBL404519
For the given ligand Chlorogenic acid, we have found in our database that, being scored 0.39175257, the most similar ligand is CHEMBL404519. Check out the elaboration below.
| Chlorogenic acid (Given Ligand) | CHEMBL404519 (Similar Ligand) |
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| O=C(/C=C/c1ccc(O)c(O)c1)OC2CC(O)(C(=O)O)CC(O)C2O | C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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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 01000000 00000100 00010300 00280000 00000000 00000000 00000400 00000000 00108008 00000000 40009000 04008008 00800000 00000400 00081008 00820000 00000100 12402000 00000001 00000020 00000a00 01000000 00000010 00000400 00000000 00000000 80000000 00000202 01000002 24020000 00000000 |