On Target IKKA_HUMAN 0.5035461/CHEMBL564009
For the given ligand Geniposidic acid, we have found in our database that, being scored 0.5035461, the most similar ligand is CHEMBL564009. Check out the elaboration below.
| Geniposidic acid (Given Ligand) | CHEMBL564009 (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 | CC(C)=CC(=O)O[C@@H]1[C@H]2C(C)=C[C@H](O)[C@@H](O)[C@]2(C)[C@H]2[C@]3(O)OC[C@@]24[C@@H]1OC(=O)C[C@H]4[C@@H](C)[C@H]3O |
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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 | 00050040 81000000 00000d08 80010300 80280040 00000000 02000800 28000442 01002000 01100028 40040200 40009000 0c028028 02800000 00080404 00289008 00820000 00000020 33412010 0000a001 00000020 10001a00 0500a000 08000010 00201400 00000400 00406000 a0000020 00000200 0000000a 24a20000 00000010 |