On Target NFKB1_HUMAN 0.23222749/CHEMBL336099
For the given ligand Upadacitinib, we have found in our database that, being scored 0.23222749, the most similar ligand is CHEMBL336099. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL336099 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | O=C(Nc1cc(Cl)nc(Cl)n1)c1cnc(Cl)nc1C(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 | 10018022 05000800 02100106 190c0610 00100000 0000c000 0000c400 00001800 00200100 00000030 48380004 40001880 07008004 00300001 40120600 040c0004 00040000 02004004 00402000 40204000 84120400 00240f00 21814040 00000118 00040000 40080380 00080000 90004080 0000000c 00460001 c0223020 804213e0 |