On Target ACE2_HUMAN 0.2972973/CHEMBL436639
For the given ligand DB09050, we have found in our database that, being scored 0.2972973, the most similar ligand is CHEMBL436639. Check out the elaboration below.
| DB09050 (Given Ligand) | CHEMBL436639 (Similar Ligand) |
|---|---|
| Cn1c(N)c(NC(=O)NCCN)c[n+]1C/C4=C(C(=O)[O-])/N3C(=O)[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2nsc(N)n2)[C@H]3SC4 | CC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N1 |
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| 04400087 c2806858 a0534200 0c310f60 01090088 98002000 c22c032c 9022a50d 1338a581 9a07c2c1 012b968d 600df941 8e01f886 00ac2105 851f0087 004c405c 74e00d01 08c443c0 21c10018 0372272c c0008580 b9018f92 af9a7b01 16400018 45001202 2c400f24 40c54020 c40605d8 0c00100c e0463123 24087091 a3b383e8 | 04070002 81007a18 60100100 45910f10 041c12c0 00000110 02002020 2000200c 00600b80 020f0ac2 28308004 5003b800 1e00983e 01542801 811a0040 001c000c 10000000 0e000001 00e02418 404e2301 60000d40 38358e38 23800683 97500018 00043801 80800200 48120400 10000100 0c000016 0046802b e00c4200 23c12e20 |