On Target AHR_HUMAN 0.3125/CHEMBL1506957
For the given ligand Baricitinib, we have found in our database that, being scored 0.3125, the most similar ligand is CHEMBL1506957. Check out the elaboration below.
| Baricitinib (Given Ligand) | CHEMBL1506957 (Similar Ligand) |
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| CCS(=O)(=O)N4CC(CC#N)(n3cc(c1ncnc2[nH]ccc12)cn3)C4 | Cc1ccc2cc3c(NC(=O)CC(C)C)nn(C)c3nc2c1 |
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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 | 00004007 00000c09 60104100 08050600 200c0000 00006004 02808000 00200800 00000100 100008c0 0038000c 40019000 84009826 00d00000 00020040 000c400c 00048000 02800000 08600000 00220001 c0100080 1c058638 21807847 82608010 00022401 80000000 200480c0 100008c0 00008008 00062001 40040500 00000260 |