On Target PA_INFA 0.3387978/CHEMBL463590
For the given ligand Anidulafungin, we have found in our database that, being scored 0.3387978, the most similar ligand is CHEMBL463590. Check out the elaboration below.
| Anidulafungin (Given Ligand) | CHEMBL463590 (Similar Ligand) |
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| CCCCCOc7ccc(c6ccc(c5ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]1[C@@H](O)[C@@H](C)CN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H]([C@@H](C)O)NC4=O)cc5)cc6)cc7 | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 |
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| 0405a000 01007a08 2010010a 44010700 001810c0 0201c010 02040000 22001008 00b00b00 000908c0 08300000 4003b000 96808832 01202003 911c0401 001c2008 18820000 02000000 04c00000 10020201 00000100 38168760 17000083 0250003c 00000001 c0000000 00520000 90000040 08004300 0006000b e0044000 00402e00 | 00028000 01000000 00100102 00010600 00000000 00000000 00000080 2a001400 01100800 001808c0 08300000 5001d800 86028826 00200000 00000400 00080008 00000000 02000000 00250018 00000201 00000100 18008b80 04008000 00500010 00003800 c0002400 00444000 90000000 00004100 00060002 24040000 00820600 |