On Target IKKA_HUMAN 0.35/CHEMBL562370
For the given ligand Upadacitinib, we have found in our database that, being scored 0.35, the most similar ligand is CHEMBL562370. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL562370 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CNc1nc2[nH]c(-c3cccc(CNC(=O)CCC(N)=O)c3)cc2c2c1ncn2C |
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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 | 0002a00a 00800000 00184100 18090620 000c0061 0400c000 1000b000 22081800 00600100 100008c0 0120800c 40039800 06009802 00d00000 000e04c0 020c000c 08060800 0a007004 0c600000 80e00203 c0000008 1c048660 31806845 80600118 00000002 c0000000 080084c0 900000c1 0042c10e 00460c41 60040a00 008006c0 |