| Tofacitinib (Given Ligand) | CHEMBL453737 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | COc1cc2c(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1 |
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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 | 04000006 00000008 20104188 c2210610 210c1082 02004018 060c3000 00000008 06000100 000028e0 0820000c 50048000 0080d816 00401000 010a18c9 820ca14c 10260840 9200c004 0ce02000 50a60a01 40400000 3c008008 338008c1 80700010 00042401 80080000 240a0200 002500c1 0001c208 00468809 40240404 822002c0 |