On Target KI20A_HUMAN 0.17834395/CHEMBL3753955
For the given ligand Tofacitinib, we have found in our database that, being scored 0.17834395, the most similar ligand is CHEMBL3753955. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL3753955 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | N#C/C(=C\c1cccnc1)c1c[nH]c2ccccc12 |
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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 | 00000002 00000800 00004100 42010230 00041004 00100000 80002080 00000400 00400100 00082840 08000104 40028000 00008800 00400000 00000042 00440004 00400400 02000004 00220400 01000002 40000000 1a008008 20800400 80400010 00042000 80000000 08402100 40000000 00480000 00020002 24040200 000024a0 |