On Target XCT_HUMAN 0.3088803/CHEMBL3629669
For the given ligand Upadacitinib, we have found in our database that, being scored 0.3088803, the most similar ligand is CHEMBL3629669. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL3629669 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | COc1ccc(CN2CCN(CC(=O)c3ccc(OC(C)C)c(-n4c(CN5CCN(C(=O)COc6ccc(Cl)cc6)CC5)nc5ccccc5c4=O)c3)CC2)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 | 0400a002 00002a08 20500109 14310e02 800c10e0 00104120 12049802 0200b009 06500180 400908e0 0925000c 4001e800 0280b806 00603201 011634c1 120c410c 18000018 82008402 00600400 00020200 400200c1 38278738 33800061 8370001c 00142000 c0000040 28328008 80040005 0c404304 0046000b c0444000 c01266a2 |