On Target RAC1_HUMAN 0.40625/CHEMBL257119
For the given ligand Tofacitinib, we have found in our database that, being scored 0.40625, the most similar ligand is CHEMBL257119. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL257119 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1 |
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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 | 00000002 01801801 00104100 180d0600 0304002c 00004000 0000a010 20100880 10202100 200008d0 00302004 40039800 04000802 00500000 00020040 020c0004 00040800 12004008 0860000a 10a00205 41080000 1c04a008 20804840 80500110 00040000 80000000 02008040 100000c0 0000800c 00460800 40041000 000002e0 |