On Target CCR5_HUMAN 0.5714286/CHEMBL4442783
For the given ligand Tofacitinib, we have found in our database that, being scored 0.5714286, the most similar ligand is CHEMBL4442783. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL4442783 (Similar Ligand) |
|---|---|
| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | CC(=O)N[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O |
|
|
|
|
|
|
| 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 | 00034002 01003c00 00100120 0c090600 20040000 00004010 00008400 20100808 00200100 00000bf0 01200004 4003b000 05008002 0340a000 00020040 001c0004 00040000 02004004 0a602000 00200201 60100000 3a0c0638 20804043 0250001a 00000000 80000080 00000200 90000080 08408018 00460011 40107000 008022c0 |