On Target CASP1_HUMAN 0.515625/CHEMBL3978901
For the given ligand Tofacitinib, we have found in our database that, being scored 0.515625, the most similar ligand is CHEMBL3978901. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL3978901 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCN(CC2CCCCC2)CC1 |
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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 01000001 00100020 0c080600 22000008 00006010 0000a800 20100880 00000100 20000280 00200004 40011000 04000002 00002000 00020000 001c0004 00041000 00004000 02402000 00a00201 00100000 36040010 20804861 02100012 00080000 00100000 00000400 100000c0 08000018 00460800 40021000 000002c0 |