On Target HCK_HUMAN 0.4759036/CHEMBL4085262
For the given ligand Tofacitinib, we have found in our database that, being scored 0.4759036, the most similar ligand is CHEMBL4085262. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL4085262 (Similar Ligand) |
|---|---|
| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | CNC(=O)[C@H](CC(C)C)N[C@H]1CC[C@H](n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1 |
|
|
|
|
|
|
| 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 | 00012002 01800808 20180108 0c0d0610 20081000 0400e008 02048000 20000800 00200100 000008c0 0020000c 6003b000 06008812 00802000 81020081 900c000c 00020000 82800008 06602000 40220201 c0400000 38028670 31800041 0250001c 00040001 80080000 08028300 10200040 08014208 00460001 c0004600 000026e0 |