On Target IKKB_HUMAN 0.39344263/CHEMBL4743841
For the given ligand Genipin, we have found in our database that, being scored 0.39344263, the most similar ligand is CHEMBL4743841. Check out the elaboration below.
| Genipin (Given Ligand) | CHEMBL4743841 (Similar Ligand) |
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| COC(=O)/C1=C/O[C@@H](O)[C@@H]2/C(CO)=C\C[C@H]12 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=CC(=O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC |
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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 00000100 80010300 003c0000 00200800 02000080 08000402 01000100 0012800c 40000000 40009000 14028028 02800000 00080400 00081008 00820000 00000120 32412010 02002001 00000020 00000a80 01008000 00000010 00201400 00000400 00404000 80001000 00000200 81000002 24020000 00800010 |