On Target MK01_HUMAN 0.4398148/CHEMBL3945486
For the given ligand Upadacitinib, we have found in our database that, being scored 0.4398148, the most similar ligand is CHEMBL3945486. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL3945486 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | O=C(N1CCc2cnc(NC3CCOCC3)nc2C1)N1CCCC1c1ccccn1 |
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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 | 0000000a 01801800 00104182 11050f10 810c0024 00104010 01802004 0a107007 00500980 200900c0 2931a004 4083a800 00009882 00380000 00020c80 020c010c 00204208 06004022 80e00048 40a00a01 c0220120 1c25a400 218048c0 10500118 00154400 c0000400 00000040 90000080 0400130c 00c60803 600c9000 a00046a0 |