On Target NA_INFB 0.35051546/CHEMBL4161935
For the given ligand Simeprevir, we have found in our database that, being scored 0.35051546, the most similar ligand is CHEMBL4161935. Check out the elaboration below.
| Simeprevir (Given Ligand) | CHEMBL4161935 (Similar Ligand) |
|---|---|
| COc7ccc6c(O[C@@H]4C[C@@H]3C(=O)N[C@]2(C(=O)NS(=O)(=O)C1CC1)C[C@H]2/C=C\CCCCN(C)C(=O)[C@@H]3C4)cc(c5nc(C(C)C)cs5)nc6c7C | CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N(CC)CC)cc2)[C@H]1NC(C)=O |
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| 04070282 4d003008 20104908 11b10710 081c1020 02000000 060e0080 3819d44a 10210300 105888d9 0024ae04 5103ba00 0682c83a 01440081 91422441 020ca00c 0280c000 120021c4 40692010 32466a01 40000000 bd848698 a1808001 f2550038 02241000 8c000400 08624248 9000120c 0c10031e 85261481 e4164800 27a52a70 | 00074042 09007800 00100100 84010700 00180080 00000800 02080180 3a00140a 11000000 001108c8 40200004 41019001 0402881a 0188a000 00001448 00081008 10a44000 02000060 68c12010 00000201 40100020 38048e80 33008080 02500018 10001401 c0001400 00c04000 90000081 0c008300 00060401 24060000 00800a10 |