On Target S19A1_HUMAN 0.421875/CHEMBL1679
For the given ligand Tofacitinib, we have found in our database that, being scored 0.421875, the most similar ligand is CHEMBL1679. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL1679 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O |
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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 | 0003c00a 01007801 00180121 88090620 2218008c 00004020 0000b000 22301808 06000100 40020be0 00282004 4000b200 06008822 0260a000 00060441 001c040c 140c0000 0200c000 08400000 80201203 60100000 3e068e00 23804840 0050001e 00000002 c0100000 20000460 900400c0 0802c118 02460013 e0845000 80800ac0 |