On Target DRB1_HUMAN 0.44270834/CHEMBL4277461
For the given ligand Upadacitinib, we have found in our database that, being scored 0.44270834, the most similar ligand is CHEMBL4277461. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL4277461 (Similar Ligand) |
|---|---|
| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C |
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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 | 04030002 01007400 00100000 05800c10 041802c0 00000010 00002020 2000200c 00600b80 000b0382 20208000 50033800 1e009032 01102801 811a0000 001c000c 10000000 0e000001 00c00018 40000201 20000c00 302d0e20 23000083 12100018 00041001 00000200 40000000 10000100 0c000016 00460019 e0084000 20802200 |