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Target
Metallo-beta-lactamase type 2
Ligand
BDBM114408
Substrate
n/a
Meas. Tech.
ChEMBL_1567671 (CHEMBL3792099)
Kd
794328±n/a nM
Citation
 Christopeit, T; Leiros, HK Fragment-based discovery of inhibitor scaffolds targeting the metallo-ß-lactamases NDM-1 and VIM-2. Bioorg Med Chem Lett 26:1973-7 (2016) [PubMed]  Article 
Target
Name:
Metallo-beta-lactamase type 2
Synonyms:
B2 metallo-beta-lactamase | BLAN1_KLEPN | Beta-lactamase NDM-1 | Beta-lactamase type II | Metallo-beta-lactamase NDM-1 | Metallo-beta-lactamase type 2 | Metallo-beta-lactamase type II | NDM-1 | New Delhi metallo-beta-lactamase-1 | blaNDM-1
Type:
PROTEIN
Mol. Mass.:
28498.15
Organism:
Klebsiella pneumoniae
Description:
ChEMBL_103887
Residue:
270
Sequence:
MELPNIMHPVAKLSTALAAALMLSGCMPGEIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
  
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: