On Target PTN1_HUMAN 0.37320575/CHEMBL2113225
For the given ligand Upadacitinib, we have found in our database that, being scored 0.37320575, the most similar ligand is CHEMBL2113225. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL2113225 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | O=C(CCc1ccccc1)N[C@@H](Cc1ccc([C@@H]2CC(=O)NS2(=O)=O)cc1)c1nc2ccccc2[nH]1.O=C(O)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 | 0200000a 04001220 00102d00 11310e00 00040060 00104000 00000004 2000b005 00000980 000808c4 0931a40c 40809800 04009022 00440001 80c20040 020c010c 02000008 06000102 00204008 04404a07 c0000100 98a10e22 21800200 b1440038 02100c00 80000000 00000000 9000000c 04000004 00c6080b 40080000 210166e0 |