| Upadacitinib (Given Ligand) | CHEMBL4208369 (Similar Ligand) |
|---|---|
| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | COCCN1C(C)=[N+](Cc2cnccn2)C2C(=O)c3ccccc3C(=O)C21.[Br-] |
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| 0c00000a 01801000 00100422 11800e10 04080360 0000e010 0100b024 2000200c 10400981 00090280 21208004 40810800 00009802 00500800 018e0000 000c0004 08000008 0e000000 00600448 40000201 60000d00 18258440 21800040 10300018 04051000 80000200 08008000 90000184 04000004 00c60809 400c0200 20002680 | 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 |