| Tofacitinib (Given Ligand) | CHEMBL2006765 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1 |
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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 00801801 00180100 88090600 82080008 00004000 0000a000 02001880 00000100 00000840 00200004 40009000 04008802 00408000 00000440 100c0004 00040000 12004008 08600008 10a00204 40180000 1c068660 20804840 0060001c 00000000 c0000000 00008000 900d00c0 00008108 00460801 e0041200 000006c0 |