On Target CASP1_HUMAN 0.33834586/CHEMBL381667
For the given ligand Baricitinib, we have found in our database that, being scored 0.33834586, the most similar ligand is CHEMBL381667. Check out the elaboration below.
| Baricitinib (Given Ligand) | CHEMBL381667 (Similar Ligand) |
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| CCS(=O)(=O)N4CC(CC#N)(n3cc(c1ncnc2[nH]ccc12)cn3)C4 | O=C1C[C@H](NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]3CCCC[C@H](NC(=O)c4nccc5ccccc45)C(=O)N32)C(O)O1 |
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| 00010006 45810808 20180180 41b40e12 20080000 00006108 00000000 00102000 00204300 00400880 0020240c 64010800 82005c00 00940001 80420801 880c800c 00420040 82402004 04e80000 0c227003 c0000000 3c078070 21802cc1 32500134 0a010233 80000008 00100000 1000004c 0840000c 004e8011 c0080200 400106f0 | 00058092 01807c00 01104300 95b10e00 002c00a0 00100000 00020800 22003009 00000000 004189e0 00292014 6001b000 0e00880a 00502001 80fa1448 022c810c 10266004 02000003 00e02010 00007603 c0000000 38178e18 338020a3 ba50003c 02101401 c000000c 00800040 b000000d 08000704 20060011 a0464002 00016270 |