General
Preferred name
PD005322
Synonyms
4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride ()
AEBSF HCl ()
Pefabloc SC ()
AEBSF hydrochloride ()
AEBSF ()
4-(2-Aminoethyl) benzenesulfonyl fluoride ()
AEBSF (hydrochloride) ()
4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE ()
4-(2-Aminoethyl)Benzenesulfonyl Fluoride HCl ()
4-AMINOETHYLBENZENESULFONYL FLUORIDE HYDROCHLORIDE ()
P&D ID
PD005322
CAS
30827-99-7
34284-75-8
35452-30-3
Tags
available
covalent binder
drug candidate
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Irreversible serine protease inhibitor
(LOPAC library)
DESCRIPTION
Potent and selective NUAK1/2 inhibitor
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
10
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
CovBinderInPDB
DrugBank
DrugMAP
LOPAC library
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
63
Molecular Weight
203.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
0.85
TPSA
60.16
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Serine Protease
Pathway
Proteases/Proteasome
Anti-infection
Metabolic Enzyme/Protease
Primary Target
Other Proteases
MOA
Inhibitor
Target
Influenza Virus
Ser/Thr Protease
Thrombin
Source data
