On Target PTN1_HUMAN 0.37125748/CHEMBL303333
For the given ligand Tofacitinib, we have found in our database that, being scored 0.37125748, the most similar ligand is CHEMBL303333. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL303333 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)NC(C)=O |
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| 00014006 01803800 00180020 0c080600 20080000 00086000 00008000 20100808 00200100 00000280 00200004 50031000 04008802 00002000 00020000 101c0004 00440000 00004008 08600000 00200205 40100000 3a048660 60804441 0210001e 00000000 80000000 00008000 10000080 08000018 004e0001 c0001200 000026c0 | 10014002 01003a00 00101100 44010600 00000080 00014040 00000010 2018014c 04802980 000808c0 08380084 4001f000 06008002 0010a000 00020040 000c0008 00040000 02000000 0800800a 00000201 40100100 38260e28 22002001 8350001c 00000800 80000080 0a000010 10001080 0c008000 0026000b e0005000 00002600 |