Ligand
Ligand Name:   {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB206 PubChem:   137348183
Synonym(s):  
  •   chembl4470848
DrugBank:   - ChEMBL:   CHEMBL4470848
Canonical SMILES:   Cc1c2[C@@H](CC(O)=O)OB(O)c2cc(Oc2nc(N)ns2)c1C
Standard InChI:   InChI=1S/C13H14BN3O5S/c1-5-6(2)11-7(14(20)22-9(11)4-10(18)19)3-8(5)21-13-16-12(15)17-23-13/h3,9,20H,4H2,1-2H3,(H2,15,17)(H,18,19)/t9-/m1/s1
Molecular Formula:   C13H14BN3O5S Mol. Weight:   335.0747 logP:   0.76294
HBD:   3 HBA:   8
#Rotatable Bonds:   4 TPSA:   127.79

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase OXA-10 P14489 (BLO10_PSEAI) Pseudomonas aeruginosa 4WZ5 3VU IC50 : 3100 nM PDBBind SHOW
Beta-lactamase P24735 (AMPC_PSEAE) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) 4WZ4 3VU IC50 : 360 nM PDBBind SHOW