On Target NS3_HCV1A 0.2044199/CHEMBL3639445
For the given ligand Ouabain, we have found in our database that, being scored 0.2044199, the most similar ligand is CHEMBL3639445. Check out the elaboration below.
| Ouabain (Given Ligand) | CHEMBL3639445 (Similar Ligand) |
|---|---|
| C[C@@H]6O[C@@H](O[C@H]5C[C@@H](O)[C@]4(CO)[C@H]3[C@H](O)C[C@]2(C)[C@@H](/C1=C/C(=O)OC1)CC[C@]2(O)[C@@H]3CC[C@]4(O)C5)C(O)[C@H](O)[C@H]6O | 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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| 00000040 81000000 00000100 00010300 80280040 00000800 00002880 08000400 01200000 01100028 40000000 40008000 00028000 02800000 00000400 002a9008 00820010 00000000 1341a010 00002001 00100020 00000a80 05008000 08000010 00001400 00000400 00404000 a4000020 00000200 01000002 24a20000 00800010 | 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 |