On Target TNFA_HUMAN 0.30821916/CHEMBL3806296
For the given ligand Saxagliptin, we have found in our database that, being scored 0.30821916, the most similar ligand is CHEMBL3806296. Check out the elaboration below.
| Saxagliptin (Given Ligand) | CHEMBL3806296 (Similar Ligand) |
|---|---|
| N#C[C@@H]2C[C@@H]1C[C@@H]1N2C(=O)[C@@H](N)C45CC3CC(CC(O)(C3)C4)C5 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc7c[nH]c8ccccc78)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc9ccccc9)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)O |
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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 | 00030002 01007a00 00100100 45810610 001c1280 00000000 00002000 2000000c 00600880 000b08c0 08300004 4003b000 1e00883a 01402801 80180040 000c000c 10000000 02000000 00e02408 00000201 40000100 38248e38 23800083 93500018 00043801 80000000 08000000 10000000 0c000000 0006000b 20044200 00802e20 |