On Target NS3_HCV1A 0.34108528/CHEMBL3645728
For the given ligand Baricitinib, we have found in our database that, being scored 0.34108528, the most similar ligand is CHEMBL3645728. Check out the elaboration below.
| Baricitinib (Given Ligand) | CHEMBL3645728 (Similar Ligand) |
|---|---|
| CCS(=O)(=O)N4CC(CC#N)(n3cc(c1ncnc2[nH]ccc12)cn3)C4 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c(C)c(C)c1C(C)=O)C(C)(C)C)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)C1CC1 |
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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 | 0001808a 0d80b800 00100100 55300e10 04000020 00108012 100a2080 2200340d 10400100 00598898 00292404 40013000 8600c89a 0934a011 80420480 080c810c 02004000 02000026 40312400 00004201 84020000 bc0786f0 20806003 3254003c 02142000 40000000 08004010 9000100c 08000104 80060083 a4024200 01016270 |