On Target MET_HUMAN 0.52791876/CHEMBL5763503
For the given ligand Upadacitinib, we have found in our database that, being scored 0.52791876, the most similar ligand is CHEMBL5763503. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL5763503 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | O=C(c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1)N1CCC(c2ccccn2)C1 |
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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 | 0c00000a 00805a00 00104120 50810610 04040060 0408c018 0000b020 2700100c 00400980 00080ad0 29308004 40808800 80008882 01500800 01060440 820c0084 08030000 0e000005 04600008 50000201 60000500 18268648 21800040 8140011c 00041001 c0080200 08008240 d0000144 04414184 00c6000b e0040020 20000680 |