On Target PGH2_HUMAN 0.4135021/CHEMBL3576976
For the given ligand Upadacitinib, we have found in our database that, being scored 0.4135021, the most similar ligand is CHEMBL3576976. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL3576976 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | Cc1ccc(S(=O)(=O)n2cc(C(=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c3ccccc32)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 | 04038012 01807800 21142100 45b10650 041e12c8 00000010 40003020 2000040c 04400980 000b0ac0 2820a00c 7000b800 17009822 02542901 c53a0041 000c000c 10000040 0e000100 00600418 40022201 e0000c00 38278e08 a3800051 9b40001e 00843008 80000200 28000000 10000128 0c004404 2046002b e0046200 20812e20 |