On Target AKT1_HUMAN 0.47311828/CHEMBL3672012
For the given ligand Upadacitinib, we have found in our database that, being scored 0.47311828, the most similar ligand is CHEMBL3672012. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL3672012 (Similar Ligand) |
|---|---|
| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | c1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4cnc5ccccc5n4)CC3)cc2)cc1 |
|
|
|
|
|
|
| 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 | 0000a00a 01800801 00100500 10850610 00041260 0400c008 0000a020 22081000 10400900 000808c0 01208084 70818800 82000802 00700800 20860440 820c0004 08020000 06002000 04600408 50000201 60000000 18028040 31802040 00500118 00040001 c0080000 08008200 90000144 00014104 00c60808 60040800 200002a0 |