On Target ACE2_HUMAN 0.12195122/CHEMBL1240682
For the given ligand Thioamide, we have found in our database that, being scored 0.12195122, the most similar ligand is CHEMBL1240682. Check out the elaboration below.
| Thioamide (Given Ligand) | CHEMBL1240682 (Similar Ligand) |
|---|---|
| NC(=S)c1ccncc1 | 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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| 00000002 00000800 00004101 00000600 00040000 00000000 00000000 10001000 00000400 00000040 00000004 40000000 80000800 00000000 00000000 00040004 00000008 02000000 00200000 00000300 40000000 08008000 20800000 00000000 00004000 00000000 00000000 00000000 00100000 00060000 00000000 00010028 | 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 |