Ligand
Ligand Name:   {3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1002 PubChem:   2773228
Synonym(s):  
  •   380430-68-2
  • (3-boc-aminophenyl)boronic acid
  • 3-(n-boc-amino)phenylboronic acid
  • 3-(tert-butoxycarbonylamino)phenylboronic acid
  • n-boc-3-aminophenylboronic acid
  • [3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
  • mfcd03411945
  • 3-(boc-amino)phenylboronic acid
  • 3-(tert-butoxycarbonylamino)phenyl-boronic acid
  • 3-[(tert-butoxycarbonyl)amino]phenylboronic acid
  • 3-[(tert-butoxycarbonyl)amino]benzeneboronic acid
  • amtb071
  • schembl177465
  • dtxsid00959004
  • 3-(boc -amino)phenylboronic acid
  • bcp33013
  • akos015841458
  • zinc169744157
  • ab14304
  • as-2309
  • cs-w000924
  • ls10856
  • vz20086
  • 3-(boc-amino)benzeneboronic acid
  • ak-38381
  • n860
  • sy031626
  • ab0008811
  • db-000473
  • 3-(n-boc-amino)phenylboronic acid, >=95%
  • b4279
  • ft-0644550
  • (3-tert-butoxycarbonylaminophenyl)-boronic acid
  • a-3786
  • [3-(tert-butoxycarbonylamino)phenyl]boronic acid
  • j-510914
  • (3-{[(tert-butoxy)carbonyl]amino}phenyl)boronic acid
  • (3-{[tert-butoxy(hydroxy)methylidene]amino}phenyl)boronic acid
  • [3-({[(1,1-dimethylethyl)oxy]carbonyl}amino)phenyl]boronic acid
  • 3-(n-boc-amino)phenylboronic acid;3-(tert-butoxycarbonylamino)phenylboronic acid
show 39 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OB(O)c1cccc(c1)NC(=O)OC(C)(C)C
Standard InChI:   InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
Molecular Formula:   C11H16BNO4 Mol. Weight:   237.11723 logP:   0.7134
HBD:   3 HBA:   4
#Rotatable Bonds:   2 TPSA:   78.79

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 5TG4 JW1 Ki : 475000 nM PDBBind SHOW