On Target IKKA_HUMAN 0.41860464/CHEMBL564009
For the given ligand Genipin, we have found in our database that, being scored 0.41860464, the most similar ligand is CHEMBL564009. Check out the elaboration below.
| Genipin (Given Ligand) | CHEMBL564009 (Similar Ligand) |
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| COC(=O)/C1=C/O[C@@H](O)[C@@H]2/C(CO)=C\C[C@H]12 | 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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| 00010000 81000000 00000801 10010101 00290001 00000001 00020000 08001402 01000000 00508048 08000200 40409010 8402802a 02800000 02000405 01280008 00820004 00000000 10446010 00008a01 00000000 00000a00 0100a000 00000010 00201000 80200400 00405000 a0000000 00004240 00000000 0e00a000 00000010 | 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 |