On Target STAT3_HUMAN 0.36607143/CHEMBL160733
For the given ligand Upadacitinib, we have found in our database that, being scored 0.36607143, the most similar ligand is CHEMBL160733. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL160733 (Similar Ligand) |
|---|---|
| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O |
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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 | 04230002 01003208 20100100 05910650 04000254 02000010 02026000 2000000c 8c600980 000b4ac0 28308000 5047b800 0601801a 00162801 85020000 000c000c 04001020 0e000000 00002018 40020201 60000d00 3c240630 21000303 93500018 00041840 80000200 02120200 10030100 0e000004 0046002b 60004000 2193a600 |