Ligand |
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Ligand Name: benzyl (carboxyoxy)carbamate | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1133 | PubChem: 17775114 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: OC(=O)ONC(=O)OCc1ccccc1 | ||
Standard InChI: InChI=1S/C9H9NO5/c11-8(10-15-9(12)13)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13) | ||
Molecular Formula: C9H9NO5 | Mol. Weight: 211.04807 | logP: 1.5224 |
HBD: 2 | HBA: 4 | |
#Rotatable Bonds: 2 | TPSA: 84.86 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Beta-lactamase | E5KIY2 (E5KIY2_ECOLX) | Escherichia coli | 6OVZ | N9M |
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