On Target PE2R4_HUMAN 0.3744076/CHEMBL3039498
For the given ligand Upadacitinib, we have found in our database that, being scored 0.3744076, the most similar ligand is CHEMBL3039498. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL3039498 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)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 | 0000001a 00801a00 01104500 52b50e10 000c0069 0000c000 08009000 00003004 10400100 000838d0 0920a00c e0808400 80009880 00008241 802e00c0 020c0004 0a002008 02800004 00600000 40006000 c0002000 18218460 21800041 89400418 00040000 c0080040 80008040 00001c2c 04400404 2046080b 40040004 200106e0 |