On Target IKBA_HUMAN 0.28037384/CHEMBL3893901
For the given ligand Upadacitinib, we have found in our database that, being scored 0.28037384, the most similar ligand is CHEMBL3893901. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL3893901 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CC(C)c1ccc(Cn2c(=O)c(C(=O)NCCc3ccccc3)cc3c([N+](=O)[O-])cccc32)cc1 |
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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 | 10000022 0280da10 00104100 80010610 00041002 00000060 0000c000 02001004 16100181 400808e0 0d200004 40018800 80019822 00600000 603007c0 00040014 00020000 82004004 00200000 00400200 c0020000 18268e18 20800000 8170001c 00040000 c0000000 08808080 90040030 05400100 0006004b e00c0000 84000640 |