On Target PPARA_HUMAN 0.3125/CHEMBL4848531
For the given ligand Geniposidic acid, we have found in our database that, being scored 0.3125, the most similar ligand is CHEMBL4848531. Check out the elaboration below.
| Geniposidic acid (Given Ligand) | CHEMBL4848531 (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 | CCCOc1ccc2c(c1)CCC(C)(CC/C=C(\C)CC/C=C(\OCC)C(=O)OCC)O2 |
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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 | 04000000 c3000018 2000010a 80010301 00011001 c2000801 02000080 08000642 01002800 00180840 48100000 4040c040 80828002 20200080 13000401 00082008 00020000 a2008000 20496010 00022201 00000100 08000a80 05008040 08400014 00201400 c0000400 00484000 80000020 00004302 00024002 24020000 02000410 |