Ligand
Ligand Name:   tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate
Ligand Type:   non-polymer
Ligand ID:   COVPDB968 PubChem:   44119625
Synonym(s):  
  •   850568-79-5
  • 6-(boc-amino)-1-hydroxy-2,1-benzoxaborolane
  • tert-butyl (1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)carbamate
  • 5-boc-amino-2-hydroxymethylphenylboronic acid, dehydrate
  • mfcd06659853
  • tert-butyl n-(1-hydroxy-3h-2,1-benzoxaborol-6-yl)carbamate
  • dtxsid00657331
  • anw-43389
  • akos015893471
  • akos022184026
  • zinc169746096
  • ab26476
  • vz30606
  • db-016101
  • cs-0100857
  • ft-0644949
  • x2449
  • a-3776
  • a841138
  • 5-boc-amino-2-hydroxymethylphenylboronic acid dehydrate
  • tert-butyl n-(1-oxidanyl-3h-2,1-benzoxaborol-6-yl)carbamate
  • 5-(boc-amino)-2-(hydroxymethyl)benzeneboronic acid hemiester, 98+%
  • 5-amino-2-(hydroxymethyl)benzeneboronic acid, dehydrate, n-boc protected
  • n-(1-hydroxy-3h-2,1-benzoxaborol-6-yl)carbamic acid tert-butyl ester
  • tert-butyl 1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-ylcarbamate
show 24 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C1OB(O)c(c12)cc(cc2)NC(=O)OC(C)(C)C
Standard InChI:   InChI=1S/C12H16BNO4/c1-12(2,3)18-11(15)14-9-5-4-8-7-17-13(16)10(8)6-9/h4-6,16H,7H2,1-3H3,(H,14,15)
Molecular Formula:   C12H16BNO4 Mol. Weight:   249.11723 logP:   1.2513
HBD:   2 HBA:   4
#Rotatable Bonds:   1 TPSA:   67.79

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q8RLA6 (Q8RLA6_ACIBA) Acinetobacter baumannii 5TG6 J4W Ki : 28300 nM PDBBind SHOW