Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM114408
Substrate
n/a
Meas. Tech.
ChEMBL_1617950 (CHEMBL3860119)
IC50
220000±n/a nM
Citation
 Lund, BA; Christopeit, T; Guttormsen, Y; Bayer, A; Leiros, HK Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening. J Med Chem 59:5542-54 (2016) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
Beta-lactamase | OXA-48 | Synonyms=blaOXA-48 | bla
Type:
PROTEIN
Mol. Mass.:
30363.94
Organism:
Klebsiella pneumoniae
Description:
ChEMBL_103606
Residue:
265
Sequence:
MRVLALSAVFLVASIIGMPAVAKEWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
  
Inhibitor
Name:
BDBM114408
Synonyms:
2-(7-chloranylquinolin-4-yl)sulfanylethanoic acid | 2-(7-chloroquinolin-4-yl)sulfanylacetic acid | 2-[(7-chloro-4-quinolinyl)sulfanyl]acetic acid | 2-[(7-chloro-4-quinolinyl)thio]acetic acid | 2-[(7-chloro-4-quinolyl)thio]acetic acid | MLS000850622 | SMR000456640 | cid_224672
Type:
Small organic molecule
Emp. Form.:
C11H8ClNO2S
Mol. Mass.:
253.705
SMILES:
OC(=O)CSc1ccnc2cc(Cl)ccc12
Structure:
Search PDB for entries with ligand similarity: