On Target CASP1_HUMAN 0.3961039/CHEMBL400716
For the given ligand Aucubin, we have found in our database that, being scored 0.3961039, the most similar ligand is CHEMBL400716. Check out the elaboration below.
| Aucubin (Given Ligand) | CHEMBL400716 (Similar Ligand) |
|---|---|
| OC/C2=C/[C@@H](O)[C@@H]3/C=C\O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]23 | C[C@@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@@H]4[C@](C)(C(=O)C=C5C(=CC(=O)OC5(C)C)[C@@]45CO5)[C@H](C1=O)[C@H]23 |
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| 00000040 81000000 00000801 80010101 80290041 00000001 00022880 28010402 00200000 015000e8 08000200 40418010 80020002 02800000 02000404 012a9008 00800004 00000000 1141e010 00008201 00100020 00001090 0500a000 08100010 00201420 80201400 00404002 a4000020 00004240 00000000 14a00000 00000000 | 00050040 81040000 00000900 00010b00 c0380080 00000801 02000a80 28002402 01200000 00128028 40000200 4000d001 04028028 22820000 00080404 0828100c 00820000 80000100 3249a090 0000a001 20000020 00010a80 0140a000 00000016 00201480 00001400 00406000 a4000000 00000242 00000002 24220000 00800010 |