On Target KI20A_HUMAN 0.08928572/CHEMBL3754608
For the given ligand Genipin, we have found in our database that, being scored 0.08928572, the most similar ligand is CHEMBL3754608. Check out the elaboration below.
| Genipin (Given Ligand) | CHEMBL3754608 (Similar Ligand) |
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| COC(=O)/C1=C/O[C@@H](O)[C@@H]2/C(CO)=C\C[C@H]12 | COc1ccc2[nH]cc(/C(C#N)=C/c3cccnc3)c2c1 |
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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 | 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 |