On Target PA_INFA 0.3053435/CHEMBL2040640
For the given ligand Asunaprevir, we have found in our database that, being scored 0.3053435, the most similar ligand is CHEMBL2040640. Check out the elaboration below.
| Asunaprevir (Given Ligand) | CHEMBL2040640 (Similar Ligand) |
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| C=C[C@@H]1C[C@]1(NC(=O)[C@@H]4C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN4C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C5CC5 | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCCN(S(=O)(=O)Cc2ccccc2)C1 |
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| 0405a082 0d407018 60104108 05310702 80141080 02018114 160a0000 20201428 10810200 005088c8 00242404 4005b800 0e80c81e 09442003 b1581541 001ea00c 12224000 00080500 40e10810 00024201 40020040 bc148f38 33a00083 b2148038 02002401 00000002 00980200 9020802d 08000200 80060081 a4044000 07032a70 | 00018000 05000220 00102102 01310600 00000000 00000000 00000084 28008400 11000800 007808c4 08302418 5001d800 8e029036 00240001 80400400 000c0008 0000400c 02000100 00252018 00004a01 80000100 1c800b90 04008000 10500030 02003800 80002400 00444000 9000000c 04004002 0006008a 24000000 00032670 |