On Target RT_HIV1 0.29245284/CHEMBL3827839
For the given ligand Caffeic acid, we have found in our database that, being scored 0.29245284, the most similar ligand is CHEMBL3827839. Check out the elaboration below.
| Caffeic acid (Given Ligand) | CHEMBL3827839 (Similar Ligand) |
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| O=C(O)/C=C\c1ccc(O)c(O)c1 | C=C(C)[C@@H]1CC[C@]2(CNCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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| 00000000 40000008 20000100 00010200 00000000 00000000 82000080 00000400 01800000 00000840 00000000 40108000 04008002 00000000 00000002 00088008 00000400 02000000 00018018 00020200 00000000 08000a00 00000001 00400000 00001000 80000000 00422000 40000000 00400000 00020100 04000000 00000000 | 00000000 01000800 00100302 44050600 00000000 00004000 80000080 20000402 00000900 001808c0 08300000 40018800 00028002 00202000 00000402 00080008 00000400 02000020 02012000 00000201 01000100 38020a30 00008021 02500014 01200000 80000000 00406000 d0000000 08400002 01060002 e4020000 00000600 |