Ligand
Ligand Name:   (chloromethylsulfonylamino)methylboronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB39 PubChem:   71549315
Synonym(s):  
  •   ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid
  • 4e3o
  • schembl14861711
  • q27451255
show 3 synonym(s)
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