On Target DRB1_HUMAN 0.32474226/CHEMBL1253321
For the given ligand Tofacitinib, we have found in our database that, being scored 0.32474226, the most similar ligand is CHEMBL1253321. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL1253321 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CNC(=O)c1cc2cc(N(C)C)ccc2cc1C(=O)O)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)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 | 00010002 01007c00 00100100 14110e40 00080080 0200c000 00000080 2a003008 84200300 000149e2 00200004 4007b800 1e019812 00242001 84180440 00180008 14041000 02000001 08d00010 00000201 40020000 380f8fa8 23000383 0250001c 00001001 c0000400 40004200 90000080 08408110 00060031 e00c4000 01012200 |