Ligand
Ligand Name:   [(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB205 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Cc1c2[C@@H](CC(O)=O)OB(O)c2cc(Oc2cnccn2)c1C
Standard InChI:   InChI=1S/C15H15BN2O5/c1-8-9(2)15-10(16(21)23-12(15)6-14(19)20)5-11(8)22-13-7-17-3-4-18-13/h3-5,7,12,21H,6H2,1-2H3,(H,19,20)/t12-/m1/s1
Molecular Formula:   C15H15BN2O5 Mol. Weight:   314.1074 logP:   1.11924
HBD:   2 HBA:   6
#Rotatable Bonds:   4 TPSA:   101.77

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase P24735 (AMPC_PSEAE) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) 4WYY 3VT IC50 : 1000 nM PDBBind SHOW