On Target NS5B_HCV2A 0.1625/CHEMBL4216436
For the given ligand 4a, we have found in our database that, being scored 0.1625, the most similar ligand is CHEMBL4216436. Check out the elaboration below.
| 4a (Given Ligand) | CHEMBL4216436 (Similar Ligand) |
|---|---|
| CC(=O)c2c(O)c(Cc1c(O)c(C(C)=O)c(O)c(C(C)=O)c1O)c(O)c(C(C)=O)c2O | COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc([Si](C)(C)C)cc2)cc1)C(C)C |
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| 00000001 00000808 20000101 00010200 00000001 00020000 02800000 01000200 00000000 00080a40 08000000 40008200 00008002 00000000 00000000 08082008 00000000 02000000 00000000 00020800 00000000 08020200 00000020 00400014 00000000 a0000000 00120000 40800000 00000080 00020002 82000000 00000400 | 00014002 01003800 00500122 c4010600 20000000 0001a010 00000020 22001008 00980a20 00080ac0 08380004 4021f000 0e008812 0030a001 80020440 00120088 00062000 020c0000 08022010 08000201 40100100 38048e30 20052003 0250001a 00000000 e0000002 00000000 900000a0 08008382 00068003 a0044000 00006600 |