On Target NS3_HCV1A 0.46025103/CHEMBL3639445
For the given ligand Asunaprevir, we have found in our database that, being scored 0.46025103, the most similar ligand is CHEMBL3639445. Check out the elaboration below.
| Asunaprevir (Given Ligand) | CHEMBL3639445 (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 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)OCCF)C1CCCCC1)C1CCOCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 |
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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 | 000100a0 09403000 06100000 05210700 80180000 00018010 000a0000 20001408 10800200 0010c188 00602000 4001b000 0e01803a 01002011 a0400400 001a1008 04824000 00480000 46412810 00004201 00000220 30040e70 01000003 32d00038 00000400 00400002 00000200 90200030 08000200 c0040081 e4024004 00012e60 |