On Target PPIA_HUMAN 0.39306358/CHEMBL6018012
For the given ligand Upadacitinib, we have found in our database that, being scored 0.39306358, the most similar ligand is CHEMBL6018012. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL6018012 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCc2cnccn2)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O |
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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 | 0001000a 01007000 00100402 14800410 000801c0 00000000 0100a000 20000008 10400800 00080080 00208000 40013000 1600800a 00802801 809a0000 000c000c 18000000 06000000 00c02408 00000201 00100000 30048610 23000083 02100018 00040001 00000000 08000000 10000084 08000006 00860801 20024000 20002200 |