On Target RHOA_HUMAN 0.19815668/CHEMBL1802522
For the given ligand Upadacitinib, we have found in our database that, being scored 0.19815668, the most similar ligand is CHEMBL1802522. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL1802522 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | O=C(O)/C=C/c1cccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2cccc(/C=C/C(=O)O)c2)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 | 00000022 02810010 00000101 00010220 0004004c 08000000 80008090 00000400 15802100 00000870 0c200004 40008810 04018800 00500000 60b40342 000c001c 08040400 12005008 0821801a 10a00002 41020000 4c008a00 21800800 00600000 00041002 c0000000 0040a480 40010088 00408008 00461800 44040000 040000c0 |