Ligand
Ligand Name:   (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB613 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OB1Oc2c(C[C@@H]1NC(=O)C1CCCCC1)cccc2C(O)=O
Standard InChI:   InChI=1S/C16H20BNO5/c19-15(10-5-2-1-3-6-10)18-13-9-11-7-4-8-12(16(20)21)14(11)23-17(13)22/h4,7-8,10,13,22H,1-3,5-6,9H2,(H,18,19)(H,20,21)/t13-/m0/s1
Molecular Formula:   C16H20BNO5 Mol. Weight:   317.14346 logP:   1.4045
HBD:   3 HBA:   4
#Rotatable Bonds:   3 TPSA:   95.86

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase G3G192 (G3G192_KLEPN) Klebsiella pneumoniae 5T66 C6S IC50 : 3.7 nM PDBBind SHOW
Beta-lactamase OXA-10 P14489 (BLO10_PSEAI) Pseudomonas aeruginosa 5FQ9 C6S IC50 : 330 nM PDBBind SHOW