On Target KI20A_HUMAN 0.08163265/CHEMBL3754608
For the given ligand Geniposidic acid, we have found in our database that, being scored 0.08163265, the most similar ligand is CHEMBL3754608. Check out the elaboration below.
| Geniposidic acid (Given Ligand) | CHEMBL3754608 (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 | COc1ccc2[nH]cc(/C(C#N)=C/c3cccnc3)c2c1 |
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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 | 00000002 00000808 20004108 42010230 00041004 00100000 860c2080 00000400 00400100 00082840 08000104 40028000 00008806 00400000 01000043 0044000c 00400400 02000004 00220400 01020002 40000000 1a008008 20800401 80400010 00042000 80000000 08522100 40000000 00480200 00020002 24040200 000024a0 |