Ligand
Ligand Name:   3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB467 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OB(CNS(=O)(=O)Cc1cccc(c1)C(O)=O)OP(O)(O)=O
Standard InChI:   InChI=1S/C9H13BNO9PS/c12-9(13)8-3-1-2-7(4-8)5-22(18,19)11-6-10(14)20-21(15,16)17/h1-4,11,14H,5-6H2,(H,12,13)(H2,15,16,17)
Molecular Formula:   C9H13BNO9PS Mol. Weight:   353.01416 logP:   -1.0668
HBD:   5 HBA:   6
#Rotatable Bonds:   8 TPSA:   170.46

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q6DRA1 (Q6DRA1_ACIBA) Acinetobacter baumannii 5WAE A1J Ki : 160 nM PDBBind SHOW