On Target TF65_HUMAN 0.45714286/CHEMBL5434230
For the given ligand Upadacitinib, we have found in our database that, being scored 0.45714286, the most similar ligand is CHEMBL5434230. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL5434230 (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](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)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 | 04070002 01007a08 20100100 45810610 041c12c0 00000000 02002020 2000000c 00600980 000b0ac0 28308004 5003b800 1e008832 01502801 811a0040 000c000c 10000000 0e000000 00e00418 40020201 60000d00 38248e28 238000c3 93500018 00043801 80000200 08120000 10000100 0c000006 0046000b 60044200 20802e20 |