On Target DRB1_HUMAN 0.2807571/CHEMBL4292594
For the given ligand Baricitinib, we have found in our database that, being scored 0.2807571, the most similar ligand is CHEMBL4292594. Check out the elaboration below.
| Baricitinib (Given Ligand) | CHEMBL4292594 (Similar Ligand) |
|---|---|
| CCS(=O)(=O)N4CC(CC#N)(n3cc(c1ncnc2[nH]ccc12)cn3)C4 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCCNC(=O)CCSSCC(=O)NCCCCNc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C |
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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 | 1c034002 c3007c18 60100100 45910f10 241802e0 000ba150 12002460 2100220d 00e00b80 020b0bd2 28208004 5003b800 1e00903e 01342a01 819a0040 301c200e 10048000 0e000001 08d02018 404e2201 64100c40 382f0e70 2300468b 1652001c 00041001 a0800200 40040400 500011c0 2e488096 0046803b e2084000 23c12e00 |