On Target AOFA_HUMAN 0.25/CHEMBL4073457
For the given ligand Saxagliptin, we have found in our database that, being scored 0.25, the most similar ligand is CHEMBL4073457. Check out the elaboration below.
| Saxagliptin (Given Ligand) | CHEMBL4073457 (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 | O=C1CCc2ccc(OCCCCCCN3CCC(Cc4ccccc4)CC3)cc2N1 |
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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 | 04004002 81000208 2010010a 00010700 30081000 06002040 02040000 20000000 00100800 000808c0 08380024 50019000 04808002 08b00000 11020041 000c2008 00848080 02000000 08402008 00022601 40100100 18000610 21002000 00500010 00000800 81000000 00120010 10001080 00008200 0006000b 00000000 20022600 |