Ligand
Ligand Name:   butylboronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB590 PubChem:   20479
Synonym(s):  
  •   n-butylboronic acid
  • 4426-47-5
  • 1-butylboronic acid
  • 1-butaneboronic acid
  • 1-butane boronic acid
  • n-butaneboronic acid
  • boronic acid, butyl-
  • butyl boronic acid
  • mfcd00002106
  • butylboric acid
  • butaneboronic acid
  • chembl31962
  • n-butylboronic acid, 98%
  • 1-butyldihydroxyborane
  • n-butylboronate
  • bub
  • 4-butylboronic acid
  • einecs 224-607-7
  • n-butyl boronic acid
  • zlchem 668
  • n-butane boronic acid
  • pubchem1765
  • acmc-209jwv
  • butylboronic acid, 97%
  • schembl15975
  • qpkfvrwiisevcw-uhfffaoysa-
  • dtxsid90196087
  • zld0120
  • act05909
  • bcp22759
  • str06559
  • anw-30077
  • bdbm50067884
  • akos005254957
  • zinc169743048
  • bcp9000049
  • cs-w000932
  • db02664
  • ls11153
  • ncgc00249446-01
  • ak-44016
  • n350
  • sy012742
  • ab0015722
  • db-010279
  • b0529
  • ft-0635287
  • a19498
  • b-2246
  • 426b475
  • w-106206
  • q27093616
  • butylboronic acid, for gc derivatization, >=96.0% (t)
  • f0001-1206
show 53 synonym(s)
DrugBank:   DB02664 ChEMBL:   CHEMBL31962
Canonical SMILES:   OB(O)CCCC
Standard InChI:   InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
Molecular Formula:   C4H11BO2 Mol. Weight:   102.08521 logP:   0.2593
HBD:   2 HBA:   2
#Rotatable Bonds:   3 TPSA:   40.46

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Acyl-homoserine lactone acylase PvdQ Q9I194 (PVDQ_PSEAE) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) 4WKT BUB Ki : 0.55 nM PDBBind SHOW
Acyl-homoserine lactone acylase PvdQ Q9I194 (PVDQ_PSEAE) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) 4WKT BUB Ki : 550000 nM BindingDB SHOW
Acyl-homoserine lactone acylase PvdQ Q9I194 (PVDQ_PSEAE) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) 4WKT BUB Ki : 550000 nM Binding MOAD SHOW