On Target BACE1_HUMAN 0.625/CHEMBL461602
For the given ligand Saxagliptin, we have found in our database that, being scored 0.625, the most similar ligand is CHEMBL461602. Check out the elaboration below.
| Saxagliptin (Given Ligand) | CHEMBL461602 (Similar Ligand) |
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| N#C[C@@H]2C[C@@H]1C[C@@H]1N2C(=O)[C@@H](N)C45CC3CC(CC(O)(C3)C4)C5 | CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 |
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| 00010000 01001000 00100000 00000400 00180000 00000010 00000000 20000000 00000000 00000080 00200000 50013000 0400802a 01800000 00000000 00080008 00400000 00000000 02402000 00000201 00000000 30040610 03000401 02100018 00000000 00000000 00000100 10000000 08000000 00040001 00020000 00002380 | 00050000 01007000 00100000 04000400 00180080 00000000 00000000 20000008 00000000 00000080 00200000 40013000 0600801a 00802000 80180000 00080008 10000000 00000000 00402000 00000201 00000000 30040630 03000001 02100018 00000000 00000000 00000000 10000000 08000000 00040001 20024000 00002a00 |