On Target CASP1_HUMAN 0.44382024/CHEMBL5715921
For the given ligand Upadacitinib, we have found in our database that, being scored 0.44382024, the most similar ligand is CHEMBL5715921. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL5715921 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C=O)CC(=O)O.O=C(O)C(F)(F)F |
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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 | 04070002 01003000 00100000 05800410 04180240 00000000 00002020 2000000c 00400980 000b0280 20208000 50013800 0e008032 01102801 81020000 000c000c 00000000 0e000001 00c00018 40000205 20000c00 30340e00 21000083 12500018 00041001 00000200 00000000 90000100 0c000006 00460009 60004000 20802a00 |