On Target XCT_HUMAN 0.4375/CHEMBL4282466
For the given ligand Genipin, we have found in our database that, being scored 0.4375, the most similar ligand is CHEMBL4282466. Check out the elaboration below.
| Genipin (Given Ligand) | CHEMBL4282466 (Similar Ligand) |
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| COC(=O)/C1=C/O[C@@H](O)[C@@H]2/C(CO)=C\C[C@H]12 | CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(CO)=C[C@H](C4=O)[C@@H]1C2(C)C |
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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 02800900 80010300 00280000 00000000 00000040 28000402 00000040 00108008 00000200 40009000 14028028 03800000 00000404 00081008 00820000 00000100 01402010 00002001 00000020 00000a00 05008000 00000010 00201480 00200400 00404200 80001000 00000200 00000002 24020000 00000000 |