On Target PTN22_HUMAN 0.25570777/CHEMBL1478082
For the given ligand Upadacitinib, we have found in our database that, being scored 0.25570777, the most similar ligand is CHEMBL1478082. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL1478082 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | Cc1ccc(-n2c(C)nc3oc4ccccc4c(=O)c3c2=O)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 | 00100002 00200a00 00080100 10010600 000c0660 80004020 00009c02 40001600 06104140 c08008f0 0008000c 4001a000 c0009c00 00700288 000600c0 020c0204 08080028 42008000 00600000 00000000 44000080 18008038 21800041 a1780000 0a000002 c0000040 20008030 1a140000 04006004 03c6000c 40340000 40001680 |