On Target BTK_HUMAN 0.47727272/CHEMBL5871922
For the given ligand Upadacitinib, we have found in our database that, being scored 0.47727272, the most similar ligand is CHEMBL5871922. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL5871922 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CCNC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c3c(N)nccn23)CC[C@@H]1C |
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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 | 0c00e00a 01801800 00184520 50090e30 04040060 0400c008 01009004 22083048 10400100 20000ad0 01388004 7081c800 82009882 00100000 018e0000 800c0004 08268000 0e006000 0c602048 d0a00201 40300100 1c078650 31812840 0070011c 00051001 80080080 08008288 900010cc 0001c10c 00e61801 c00c18a0 200023e0 |