On Target RELB_HUMAN 0.2260274/CHEMBL4439902
For the given ligand Tofacitinib, we have found in our database that, being scored 0.2260274, the most similar ligand is CHEMBL4439902. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL4439902 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | COC(=O)c1cc(NC(=O)c2cc3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)ccc3o2)cn1C |
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| 00014006 01803800 00180020 0c080600 20080000 00086000 00008000 20100808 00200100 00000280 00200004 50031000 04008802 00002000 00020000 101c0004 00440000 00004008 08600000 00200205 40100000 3a048660 60804441 0210001e 00000000 80000000 00008000 10000080 08000018 004e0001 c0001200 000026c0 | 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 |