| Tofacitinib (Given Ligand) | CHEMBL4208369 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | COCCN1C(C)=[N+](Cc2cnccn2)C2C(=O)c3ccccc3C(=O)C21.[Br-] |
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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 | 10818042 01000a01 00300942 14010e10 000000e0 00108004 1001c040 24003001 10000ac0 00090cc3 19310010 4080b000 4e108603 0020201a 009a1400 221d010c 18228a00 02000002 0091a010 00000201 00e02101 3a238ac0 33004180 83400814 00941288 80000001 48010000 94000005 0e200a16 0106880a a000400c 80400600 |