On Target PPIA_HUMAN 0.3943662/CHEMBL6008494
For the given ligand Tofacitinib, we have found in our database that, being scored 0.3943662, the most similar ligand is CHEMBL6008494. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL6008494 (Similar Ligand) |
|---|---|
| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCc2ncccn2)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=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 | 0001000a 01007000 00100000 14000600 000800a0 00004000 01001000 20000008 00000100 00000080 00208004 40813000 1600800a 00802001 801a0000 000c000c 10000000 04000000 00c02008 00000201 00100000 30040610 238000c3 02100018 00000001 00000000 00000000 10000080 08000004 00c60001 60024000 20002280 |