On Target RT_HIV1 0.3203125/CHEMBL3775172
For the given ligand Rosmarinic acid, we have found in our database that, being scored 0.3203125, the most similar ligand is CHEMBL3775172. Check out the elaboration below.
| Rosmarinic acid (Given Ligand) | CHEMBL3775172 (Similar Ligand) |
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| O=C(/C=C/c1ccc(O)c(O)c1)OC(Cc2ccc(O)c(O)c2)C(=O)O | 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(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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| 00040000 42000008 20000500 00010200 00000041 40000000 82000080 00000440 01800800 00080840 48100000 4010d080 0c008002 00000000 00040002 00088008 08020400 82000000 24418018 00020201 00010120 08000a00 05000041 08400014 00001c00 80000000 00522000 40000420 00400200 00020102 04000000 02000410 | 00010000 01000800 00000302 40050200 00080000 00004000 80000080 00000402 00000900 00188848 08100000 40009800 04028008 00a00000 00000402 00080008 00000400 02000020 02402000 00000001 01000100 08020a20 01008020 00400014 01200000 80000000 00406000 c0000000 00400002 01020002 e4020000 00000400 |