On Target ACE2_HUMAN 0.22677596/CHEMBL436639
For the given ligand ICV829, we have found in our database that, being scored 0.22677596, the most similar ligand is CHEMBL436639. Check out the elaboration below.
| ICV829 (Given Ligand) | CHEMBL436639 (Similar Ligand) |
|---|---|
| O=C4/C(C2/C=C(Cl)\C(F)=C(OCC1/C=C\C=C/C1Cl)/C2)=C\C(c3c[nH]c(=O)[nH]c3=O)CN4C5/C=N\C=C/C5 | 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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| 005300d2 8904b000 09105000 83012f11 424db002 04b05401 10182180 20020416 17400188 029980e9 24a30604 41419210 8402a122 09410000 02201404 010d180c 22824804 42008b40 40616082 4342a249 00002821 50201780 a180b040 34100d1a 00740400 cc008800 61484080 b0040608 04004241 80461401 5c030800 460222e0 | 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 |