On Target IKKB_HUMAN 0.31914893/CHEMBL4083511
For the given ligand Aucubin, we have found in our database that, being scored 0.31914893, the most similar ligand is CHEMBL4083511. Check out the elaboration below.
| Aucubin (Given Ligand) | CHEMBL4083511 (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 | COC(=O)[C@@H](N)CCC(=O)Nc1ccc(COC2=C(C#N)[C@H](O)[C@]3(C)C4=CC(=O)[C@@H]5[C@@H]6CC(C)(C)CC[C@]6(C(=O)OC)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1 |
|
|
|
|
|
|
| 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 | 0003400a 01010800 00100900 00090721 20090011 00007001 00008280 08001402 01200100 001288c8 08280204 4043b000 84028038 03918000 02021445 02081008 00c60000 02000120 0a416010 00000001 40100020 18000ea0 2300a400 80500010 00201402 80002400 00484200 90000080 0008c200 00060041 6402a000 02000280 |