On Target PGH1_HUMAN 0.3283582/CHEMBL5201017
For the given ligand Upadacitinib, we have found in our database that, being scored 0.3283582, the most similar ligand is CHEMBL5201017. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL5201017 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | O=C(NCCc1c[nH]c2ccccc12)c1cc2cc(Cl)ccc2n1Cc1ccc(F)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 | 00008002 00009a00 00100100 53010e10 00041020 00100010 04002000 02003005 80500080 000908c0 08290004 40018800 1200980e 00501000 00020440 02040104 00000008 02000106 00280400 00120200 40000001 18278718 20802000 9140001c 00156000 c0000000 08000000 80000001 04000104 0006804b a0040200 00024620 |