On Target RELB_HUMAN 0.2264151/CHEMBL4439902
For the given ligand Upadacitinib, we have found in our database that, being scored 0.2264151, the most similar ligand is CHEMBL4439902. Check out the elaboration below.
| Upadacitinib (Given Ligand) | CHEMBL4439902 (Similar Ligand) |
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| CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c3cnc4cnc2[nH]ccc2n34 | COC(=O)c1cc(NC(=O)c2cc3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)ccc3o2)cn1C |
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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 | 04044082 c5201808 62184109 10210f20 2c109228 0e316010 12048010 62223208 02004300 500208d1 022b006c 4021d000 5480cc02 48310088 130244e1 320ea00c 0206c812 02800126 0c690008 80420e01 c0100001 18078e48 a1817006 205c8b1c 088c1822 e9102000 44360614 98000080 204ab384 01c60049 f0040201 44100ac0 |