On Target PADI4_HUMAN 0.39053255/CHEMBL3952821
For the given ligand Tofacitinib, we have found in our database that, being scored 0.39053255, the most similar ligand is CHEMBL3952821. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL3952821 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | Cn1c(-c2cc3ccccc3n2CC(F)(F)F)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21 |
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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 | 00004002 0100b800 00100100 10050600 00040060 00004000 00000002 22181004 00200110 300118c0 0120800c 50038000 00009802 0040a000 00220440 020c0004 00000008 12002004 00600000 10400205 c0100080 78068638 21800001 8270001c 00004000 c0000000 00000040 90000000 0840010c 00460c41 e0049a00 000002a0 |