Ligand
Ligand Name:   tridecylboronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB522 PubChem:   368422
Synonym(s):  
  •   nsc639424
  • 1-tridecylboronic acid
  • 4m1j
  • n-tridecaneboronic acid
  • chembl1966359
  • ab23092
  • nsc-639424
  • nci60_013059
  • nci60_013060
  • q27458161
  • 1449291-52-4
show 10 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1966359
Canonical SMILES:   OB(O)CCCCCCCCCCCCC
Standard InChI:   InChI=1S/C13H29BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h15-16H,2-13H2,1H3
Molecular Formula:   C13H29BO2 Mol. Weight:   228.22606 logP:   3.7702
HBD:   2 HBA:   2
#Rotatable Bonds:   12 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) 4M1J B0S Ki : 0.2 nM PDBBind SHOW