On Target GCR_HUMAN 0.42857143/CHEMBL5396710
For the given ligand Aucubin, we have found in our database that, being scored 0.42857143, the most similar ligand is CHEMBL5396710. Check out the elaboration below.
| Aucubin (Given Ligand) | CHEMBL5396710 (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@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](C3CCNCC3)O[C@]12C(=O)CO |
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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 | 00010042 81000000 00100000 00090500 003c0040 00200004 00000880 2a000402 01200000 011000a0 00200000 5001d000 1402802a 02800000 00000400 08289008 00800000 80000000 1341a000 00022201 00000021 10000280 05008000 08000814 00200400 00000000 00404200 b4000020 00000200 01040000 24a20000 00000a00 |