Ligand |
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Ligand Name: (chloromethylsulfonylamino)methylboronic acid | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB39 | PubChem: 71549315 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: OB(O)CNS(=O)(=O)CCl | ||
Standard InChI: InChI=1S/C2H7BClNO4S/c4-2-10(8,9)5-1-3(6)7/h5-7H,1-2H2 | ||
Molecular Formula: C2H7BClNO4S | Mol. Weight: 186.98773 | logP: -1.8859 |
HBD: 3 | HBA: 4 | |
#Rotatable Bonds: 4 | TPSA: 86.63 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Beta-lactamase | P00811 (AMPC_ECOLI) | Escherichia coli (strain K12) | 4E3O | 0NG | Ki : 310 nM | PDBBind | SHOW |
Beta-lactamase | A0A0H2V8D3 (A0A0H2V8D3_ECOL6) | Escherichia coli O6:H1 (strain CFT073 / ATCC 700928 / UPEC) | 4E6X | 0NG |
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SHOW |