On Target PE2R4_HUMAN 0.3647059/CHEMBL6018346
For the given ligand Tofacitinib, we have found in our database that, being scored 0.3647059, the most similar ligand is CHEMBL6018346. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL6018346 (Similar Ligand) |
|---|---|
| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)N5CCNC(=O)C5)ccc4n3CC3CC3)ccc21 |
|
|
|
|
|
|
| 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 | 0000c002 0000b800 00100100 14050600 200c0060 00006000 00000000 0208100c 00000100 100118c0 0120800c 4001a000 02009802 01c0a001 000204c0 020c0004 00000008 02002004 00600000 00400005 c0100000 38068638 21800021 8250001c 00004000 c0000000 00000040 90000000 08400104 00460c41 e00cca00 000002a0 |