On Target ACE2_HUMAN 0.46025103/CHEMBL1240682
For the given ligand Anidulafungin, we have found in our database that, being scored 0.46025103, the most similar ligand is CHEMBL1240682. Check out the elaboration below.
| Anidulafungin (Given Ligand) | CHEMBL1240682 (Similar Ligand) |
|---|---|
| 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 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O |
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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 | 04070002 01007a08 20100100 45910e10 041c12c0 00000010 02002020 2000200c 00600b80 020f0ac2 28308004 5003b800 1e00981a 01542801 811a0040 001c000c 10000000 0e000001 00e02418 40420301 60000d00 38358e38 23800283 97500018 00043801 80000200 48120000 10000100 0c000016 0046002b e00c4200 23812e20 |