On Target TLR7_HUMAN 0.4417178/CHEMBL4755291
For the given ligand Tofacitinib, we have found in our database that, being scored 0.4417178, the most similar ligand is CHEMBL4755291. Check out the elaboration below.
| Tofacitinib (Given Ligand) | CHEMBL4755291 (Similar Ligand) |
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| C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c2ncnc3[nH]ccc23 | [2H]c1ccc2c(N3C[C@@H]4CN(c5ncc(N6CC7(CC(N)C7)C6)cc5C)CCN4[C@H](C)C3)ccc(C#N)c2n1 |
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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 | 00004002 01801c00 40104120 04010630 20041020 08002050 00008000 00100000 00200000 20810bf0 00200004 41038000 00000802 0040a010 00020041 00140006 00640000 0200400c 08a00000 00a00205 60100000 3e048008 20804c23 82700012 00040002 80100000 08008480 10001080 08408018 00460c12 00041000 000022c0 |