On Target CXCR4_HUMAN 0.49509802/CHEMBL565749
For the given ligand Upadacitinib, we have found in our database that, being scored 0.49509802, the most similar ligand is CHEMBL565749. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL565749 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | CN(Cc1nc2cccc(C(=O)NCCc3cnc[nH]3)c2[nH]1)C1CCCc2cccnc21 |
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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 | 1400000a 01005800 00104902 11850e10 04041160 00104000 01006000 2200300f 00500980 00090ad0 69318004 40818800 00008882 08708800 010204c0 020c0104 00020208 0e000006 00202408 40000201 c0120900 18238e20 21804000 1050011c 00145000 c0000201 08004040 90000080 04400106 00c60803 e0048000 a00046a0 |