On Target MK01_HUMAN 0.45/CHEMBL517080
For the given ligand Geniposidic acid, we have found in our database that, being scored 0.45, the most similar ligand is CHEMBL517080. Check out the elaboration below.
| Geniposidic acid (Given Ligand) | CHEMBL517080 (Similar Ligand) |
|---|---|
| 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 | CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 |
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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 00000900 80010300 000c00c0 00200000 02000280 28000402 01000000 01108008 40040200 40009000 14028008 00800000 00000404 00089008 00820000 00000020 23412010 0000a001 20000020 00001a80 0500a000 08000010 00201400 00000400 00406000 80000020 00000200 01000002 24020000 00000010 |