On Target E2AK2_HUMAN 0.3319149/CHEMBL2441340
For the given ligand Upadacitinib, we have found in our database that, being scored 0.3319149, the most similar ligand is CHEMBL2441340. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL2441340 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 |
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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 | 0400600a 00801800 00184120 1a0d0610 200c1521 0400e058 00008000 00140804 04002180 00084ac0 0828802c 60819000 01018802 00909000 410201c0 920c000e 01268200 8a801008 0c602000 40280200 c0100000 18228660 31802040 8140001d 00041001 80080080 08008250 000010c1 0409c00c 00468003 c0007200 200026e0 |