On Target ABCG2_HUMAN 0.3853211/CHEMBL3747380
For the given ligand Upadacitinib, we have found in our database that, being scored 0.3853211, the most similar ligand is CHEMBL3747380. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL3747380 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N21 |
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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 | 0003800a 0180fa00 00100102 55810e10 00041220 00100002 01002000 2200300d 00600880 000b08c0 08318004 4083b000 1e008892 0060a801 800204e0 02040104 00000200 06000026 00200408 00000a01 c0020100 38278628 20804021 93500018 00143800 c0000001 08004000 90000080 0c000104 0086000b 20044200 20806620 |