On Target IKKB_HUMAN 0.38624337/CHEMBL4083511
For the given ligand Geniposidic acid, we have found in our database that, being scored 0.38624337, the most similar ligand is CHEMBL4083511. Check out the elaboration below.
| Geniposidic acid (Given Ligand) | CHEMBL4083511 (Similar Ligand) |
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| O=C(O)/C2=C/O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]3/C(CO)=C\C[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 |
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| 00010040 81000000 00000801 80010101 80290041 00000001 00022880 08001402 01200000 015080e8 08000200 40419010 8402802a 02800000 02000404 012a9008 00800004 00000000 1145e010 00008a01 00100020 00001a90 0500a000 08100010 00201420 80200400 00405002 a4000020 00004240 00000000 0ea0a000 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 |