On Target ACE2_HUMAN 0.30169493/CHEMBL436639
For the given ligand Remdesivir Nucleoside, we have found in our database that, being scored 0.30169493, the most similar ligand is CHEMBL436639. Check out the elaboration below.
| Remdesivir Nucleoside (Given Ligand) | CHEMBL436639 (Similar Ligand) |
|---|---|
| N#C[C@@]3(c1ccc2c(N)ncnn12)O[C@H](CO)[C@@H](O)[C@H]3O | 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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| 0000000a 81004009 e2103502 18010720 052c80f0 8000c004 03018000 00200a00 10400b00 010c0040 08188004 42839040 00001802 02b10000 000e0040 020ea00c 08418800 06800004 01602008 00660201 40120120 3c008060 a5801cc6 08700110 00000400 80002000 080880c0 900008a0 0040020e 00c6cc02 40000280 22200c80 | 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 |