On Target TNFA_HUMAN 0.39267015/CHEMBL5873198
For the given ligand Upadacitinib, we have found in our database that, being scored 0.39267015, the most similar ligand is CHEMBL5873198. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL5873198 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1 |
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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 | 00018002 01803a00 00100100 45810e10 00041200 00000000 00002004 2200300c 00400800 000908c0 09300004 4000b800 1e009846 00402800 00000440 00040004 00004008 02002000 00200448 00000201 c0020100 38258708 20800000 93400018 00053800 c0000000 08040000 90000000 0c000100 0006000b 200c4200 80020620 |