Ligand
Ligand Name:   2-({2',3',4'-trifluoro-[1,1'-biphenyl]-2-yl}oxy)acetaldehyde
Ligand Type:   non-polymer
Ligand ID:   COVPDB1384 PubChem:   11565199
Synonym(s):  
  •   aldehyde inhibitor, 2
  • 2op3
  • 2-[2-(2,3,4-trifluorophenyl)phenoxy]acetaldehyde
  • chembl387619
  • bdbm19486
  • zinc14971084
  • 2,3,4-trifluorobiphenyl-2'-yloxyacetaldehyde"]
show 6 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL387619
Canonical SMILES:   Fc1ccc(c(F)c1F)-c2ccccc2OCC=O
Standard InChI:   InChI=1S/C14H9F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-7H,8H2
Molecular Formula:   C14H9F3O2 Mol. Weight:   266.05545 logP:   3.3486
HBD:   0 HBA:   2
#Rotatable Bonds:   4 TPSA:   26.3

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cathepsin S P25774 (CATS_HUMAN) Homo sapiens (Human) 2OP3 TF5 Ki : 490 nM PDBBind SHOW