Target ID: CHEMBL4605
Organism: Homo sapiens
Type: SINGLE PROTEIN
Name | SMILES | Bioactivity | Structure |
---|---|---|---|
AMPICILLIN | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O | MIC: 5.0 ug.mL-1 | ![]() |
FLOXURIDINE | O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F | IC50: 2.0 nM | ![]() |
AMOXICILLIN | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O | MIC: 0.021 ug.mL-1 | ![]() |
LEVODOPA | N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O | IC50: 900000.0 nM | ![]() |
POLAPREZINC | NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O | KA: 1.3 uM | ![]() |
SMILES | Avg pKi | Count | Structure |
---|---|---|---|
[5*]N[5*] | None | 51 | ![]() |
[8*]C[C@H](N)C(=O)O | 3.05 | 39 | ![]() |
c1ccccc1 | 3.05 | 39 | ![]() |
[16*]c1ccc(O)c(O)c1 | 3.05 | 39 | ![]() |
c1c[nH]cn1 | None | 34 | ![]() |