On Target CCR5_HUMAN 0.375/CHEMBL1085220
For the given ligand Baricitinib, we have found in our database that, being scored 0.375, the most similar ligand is CHEMBL1085220. Check out the elaboration below.
| Baricitinib (Given Ligand) | CHEMBL1085220 (Similar Ligand) |
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| CCS(=O)(=O)N4CC(CC#N)(n3cc(c1ncnc2[nH]ccc12)cn3)C4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCN(S(C)(=O)=O)CC4)C[C@H]3c3ccccc3)CC2)CC1 |
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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 | 10000002 03803c00 00100100 15350e10 00000000 0000c000 00004004 2200300c 00200180 004809e0 49202004 50038800 00009802 00302001 80420400 000c000c 00024008 02002000 00400040 40004201 80020100 382d8e00 20800041 93500118 02050000 c1000000 00004000 9000000c 0c000104 00460013 e01c0000 800126f0 |