On Target HMR1_HUMAN 0.2962963/CHEMBL1742248
For the given ligand Upadacitinib, we have found in our database that, being scored 0.2962963, the most similar ligand is CHEMBL1742248. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL1742248 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CC(=O)Nc1nc(O)c2nc(C=O)cnc2n1 |
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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 | 0001400a 01800818 60180000 18000610 10001040 0000c004 0080a000 00400800 10400100 20000040 00380004 40001000 04008900 00100000 008e0000 000c002c 08000000 0200400c 00400000 40a40000 80020200 44008640 21804840 0000000c 00040400 80400000 08068000 00000004 0000000c 00461801 c0001000 08280380 |