On Target NS5B_HCV1B 0.36982247/CHEMBL3645202
For the given ligand Simeprevir, we have found in our database that, being scored 0.36982247, the most similar ligand is CHEMBL3645202. Check out the elaboration below.
| Simeprevir (Given Ligand) | CHEMBL3645202 (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 | CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)[C@H]3CCC[C@@H]3C(=O)OC)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 |
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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 | 00074006 0180de08 20180902 41310f00 211c0000 00004042 02040000 22001408 00100900 004909e0 09312024 40119800 84008c3b 01c00201 808a0040 000e200e 04a68000 02000104 08602008 00225203 e0100101 1c8b8e38 2180c800 9370001c 02104080 c0000048 00270280 9000108c 0c488306 0146005b c4068088 a8916fe0 |