On Target CASP1_HUMAN 0.44554454/CHEMBL252716
For the given ligand Genipin, we have found in our database that, being scored 0.44554454, the most similar ligand is CHEMBL252716. Check out the elaboration below.
| Genipin (Given Ligand) | CHEMBL252716 (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=C1[C@@]2(C)C[C@H]3[C@@]4(C)C(=CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O)C(C)(C)C(=O)C[C@H]4O |
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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 | 00050000 81000000 00800800 00010100 00280000 00200000 00000040 00000402 00000140 00128008 00000200 4000d000 14028028 00800000 00000404 00080008 00820000 00000020 12402000 00008001 00000000 00000a00 01008000 00000010 00200000 00000000 00404200 80000000 00000200 00000000 24020000 00000000 |