On Target NOS3_HUMAN 0.33142856/CHEMBL592445
For the given ligand Tofacitinib, we have found in our database that, being scored 0.33142856, the most similar ligand is CHEMBL592445. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL592445 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)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 | 00018006 01001c21 80102100 80010e40 03000080 00000000 00000000 22083881 00000100 000009e0 00292004 50019800 06009802 00108000 00021448 1808010c 10041800 02006000 08000000 00200201 40000100 180ea600 72026000 0050001c 00100400 c0000000 00000000 900000e0 0000830c 00460011 a0041800 00004200 |