On Target PADI4_HUMAN 0.40977442/CHEMBL5872184
For the given ligand Baricitinib, we have found in our database that, being scored 0.40977442, the most similar ligand is CHEMBL5872184. Check out the elaboration below.
| Baricitinib (Given Ligand) | CHEMBL5872184 (Similar Ligand) |
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| CCS(=O)(=O)N4CC(CC#N)(n3cc(c1ncnc2[nH]ccc12)cn3)C4 | COc1cc(C(=O)N2CC3CCC2[C@@H]3N)cc2nc(-c3cc4ccc(-c5cnn(C6CC6)c5)nc4n3CC3CC3)n(C)c12 |
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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 | 00014006 4501bc08 60104188 10850610 200c1070 0000601c 06800200 2218100c 00000310 300119c0 0120800c 50058800 06009802 09d08003 012244c5 a20c000c 00028048 9240300c 0c682008 10663205 c0100000 780f8630 21802801 8254811c 00014803 c1000200 00000040 90000040 0840430d 01460c51 e00c9a00 002426a8 |