On Target GP_EBOV 0.39595374/CHEMBL3125899
For the given ligand Simeprevir, we have found in our database that, being scored 0.39595374, the most similar ligand is CHEMBL3125899. Check out the elaboration below.
| Simeprevir (Given Ligand) | CHEMBL3125899 (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 | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](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 | 04070002 41007e00 20120901 45910750 041d12c0 00000030 00002020 2000040e 00600980 001b4bc8 2830b204 5007b800 1e03883a 81d42801 811a0454 000c100c 14820000 0e000021 02e02418 40408201 60000d20 383c9e3a 2380a283 93500018 1825be01 80000210 08406000 90002140 0c000206 0146003b 64064200 27812e20 |