Ligand
Ligand Name:   3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB158 PubChem:   71562534
Synonym(s):  
  •   chembl2326847
  • q27453294
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL2326847
Canonical SMILES:   N[C@@H](C(=O)N[C@@H](Cc1cccc(c1)C(O)=O)B(O)O)c1ccccc1
Standard InChI:   InChI=1S/C17H19BN2O5/c19-15(12-6-2-1-3-7-12)16(21)20-14(18(24)25)10-11-5-4-8-13(9-11)17(22)23/h1-9,14-15,24-25H,10,19H2,(H,20,21)(H,22,23)/t14-,15+/m0/s1
Molecular Formula:   C17H19BN2O5 Mol. Weight:   342.1387 logP:   0.1241
HBD:   5 HBA:   5
#Rotatable Bonds:   7 TPSA:   132.88

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q8KMX3 (Q8KMX3_ECOLX) Escherichia coli 4OPZ 2UL
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Beta-lactamase Q9AGJ5 (Q9AGJ5_ECOLX) Escherichia coli 4OQH 2UL
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