On Target BTK_HUMAN 0.86206895/CHEMBL2057924
For the given ligand Tofacitinib, we have found in our database that, being scored 0.86206895, the most similar ligand is CHEMBL2057924. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL2057924 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | O=C(N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)[C@H](Nc1ccccc1)C1CC1 |
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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 | 00014002 01803800 00180020 0c080600 20080000 00006000 00008000 20100808 00200100 00000ac0 00200004 5003b000 04008802 01002000 00020040 101c0004 00040000 00004008 08600000 00200205 40100000 3a048660 20804043 0210001e 00000000 80000080 00008000 10000080 08008018 00460001 c0005200 000026c0 |