On Target ACE2_HUMAN 0.23628692/CHEMBL1240682
For the given ligand Brequinar, we have found in our database that, being scored 0.23628692, the most similar ligand is CHEMBL1240682. Check out the elaboration below.
| Brequinar (Given Ligand) | CHEMBL1240682 (Similar Ligand) |
|---|---|
| Cc4c(c2ccc(c1ccccc1F)cc2)nc3ccc(F)cc3c4C(=O)O | 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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| 00002002 00001801 00104100 12010210 00041020 0000c030 00000000 00080004 00400100 10000840 00008004 50008800 80008800 00609000 20220040 0a0c000d 00020200 02003204 04200000 50500000 40000000 08028a28 30800000 80400004 00040000 80000000 08000040 00000041 10414004 00028400 c0040800 00000220 | 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 |