On Target CXCR4_HUMAN 0.46825397/CHEMBL441687
For the given ligand Aucubin, we have found in our database that, being scored 0.46825397, the most similar ligand is CHEMBL441687. Check out the elaboration below.
| Aucubin (Given Ligand) | CHEMBL441687 (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 | CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 |
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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 01000000 00000000 00810100 80280040 00000000 00002880 08000442 01202000 01108028 00000000 4000d000 14028028 02800000 00000400 282a9008 00800000 80000020 1341a000 00000001 00100020 00000a80 05008000 08000014 00200400 00000000 00404000 a4000020 00000200 00000000 24a20000 00000000 |