On Target NS3_HCV1A 0.2204301/CHEMBL3639445
For the given ligand 1, we have found in our database that, being scored 0.2204301, the most similar ligand is CHEMBL3639445. Check out the elaboration below.
| 1 (Given Ligand) | CHEMBL3639445 (Similar Ligand) |
|---|---|
| O=C(/C=C/c1ccc(O)c(O)c1)OC2CC(O)(C(=O)O)CC(O)C2O | 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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| 00050000 41000008 20000500 00010300 00280040 00000000 82000080 00000400 01800000 01000840 40000000 4010d000 0c00802a 02800000 00000002 00089008 00820400 02000100 3341a018 00020201 00000020 08000a00 05000001 08400010 00001400 80000000 00422000 40000420 00400200 0002010a 04020000 00000010 | 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 |