On Target GCR_HUMAN 0.39766082/CHEMBL231500
For the given ligand Tofacitinib, we have found in our database that, being scored 0.39766082, the most similar ligand is CHEMBL231500. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL231500 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | CC(=O)Nc1ccc(C2CCN(c3[nH]c(=O)[nH]c(=O)c3Cc3ccccc3)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 | 08014002 01002a00 00101100 4a090610 20000022 00086040 0000b000 21100800 06400900 800808e0 2c380004 50019000 04008002 00508000 00220040 000c0406 000d8040 0200c001 08400000 40200201 40100100 18040600 20806040 00500410 00040004 c0000000 20400040 500410a0 0008c088 0046000b 40001000 200006c0 |