On Target MK14_HUMAN 0.4370861/CHEMBL222050
For the given ligand Tofacitinib, we have found in our database that, being scored 0.4370861, the most similar ligand is CHEMBL222050. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL222050 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | Cc1ccc(C(=O)NC2CCCC2)cc1Nc1nc(N[C@H]2CCNC2)nc(N(C)CC(C)(C)C)n1 |
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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 | 10010202 01001801 00100100 44010600 02000000 08000010 00000000 22101880 00800100 000009f0 00200004 40019800 84008802 00002000 00020440 10180004 00041000 12004000 08000008 10200201 40080000 3a068600 61004000 0250001c 00040000 c0000000 00000000 900010c0 28408118 01460011 e0041000 00000200 |