On Target ACE2_HUMAN 0.2792793/CHEMBL436639
For the given ligand remdesivir triphosphate, we have found in our database that, being scored 0.2792793, the most similar ligand is CHEMBL436639. Check out the elaboration below.
| remdesivir triphosphate (Given Ligand) | CHEMBL436639 (Similar Ligand) |
|---|---|
| N#CC3(c1ccc2c(N)ncnn12)OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O | 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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| 0000080a 81004009 e2503512 19010f20 052c80f4 8012c024 0381c000 00200a80 10404b00 010c0040 08188004 4a839040 00001802 02b30020 000e0040 020eaa0c 094b8820 0680000e 01602008 00665203 40120120 3c008860 a5801cc6 08700110 40000400 80002100 0e0880c0 900508a0 0040020e 00c6cc16 41400280 6220ac82 | 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 |