On Target PR_HIV1 0.2588997/CHEMBL492666
For the given ligand Simeprevir, we have found in our database that, being scored 0.2588997, the most similar ligand is CHEMBL492666. Check out the elaboration below.
| Simeprevir (Given Ligand) | CHEMBL492666 (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 | COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2CCCCCC2)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 | 00000010 01c05408 2110010a 01b10700 00081080 00028000 02000000 a0000004 00540a00 004809e0 08302000 60018000 00008002 00a00101 81e80001 001a0008 10822000 02080000 00402800 01027603 80000100 18280c90 03100040 d9500058 02000000 8000100e 00800000 1020108c 04000600 20060013 80020000 00012670 |