On Target NS3_HCV1A 0.41638225/CHEMBL3645743
For the given ligand Simeprevir, we have found in our database that, being scored 0.41638225, the most similar ligand is CHEMBL3645743. Check out the elaboration below.
| Simeprevir (Given Ligand) | CHEMBL3645743 (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 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cc3cc(OC)ccc3[nH]1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 |
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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 | 000180a2 0900b808 26100108 15210e00 00041020 00100010 060a0000 22003409 10000000 0011c9c8 00692004 4001b000 0601881e 01502011 a1420441 0204010c 04004000 02000006 46212000 00024201 40000000 38078638 20802003 b2d0003c 00102000 c0000000 00000000 90000010 08000304 c0060081 e4064204 00016260 |