On Target GCR_HUMAN 0.41847825/CHEMBL3126955
For the given ligand Upadacitinib, we have found in our database that, being scored 0.41847825, the most similar ligand is CHEMBL3126955. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL3126955 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nccnc2[nH]1)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 | 0000000a 01804800 0010150a 52010200 040800e0 0000c010 01009000 00000000 10400900 00082840 09108004 50808800 88000800 00301000 008e0020 000c060c 08040000 06000004 00602008 00100001 40100500 08008040 21804040 20500110 00002000 80000201 98008020 90000081 00500006 02c28802 40040200 200006a0 |