On Target IKKA_HUMAN 0.5202703/CHEMBL4086169
For the given ligand Tofacitinib, we have found in our database that, being scored 0.5202703, the most similar ligand is CHEMBL4086169. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL4086169 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | N#Cc1c[nH]c2nc(N)nc(N[C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)c12 |
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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 | 00014002 01800801 40183100 084c0610 2238108c 00006000 0000a000 00100800 00000100 00810090 00200004 40031000 04001800 03000000 00020000 100c000c 08440000 02004048 09e00000 40200005 40100000 1c048060 27804cc0 02300014 00040000 80000000 08008000 100000c0 00000008 01460000 c0001200 00000ee0 |