Reaction Details Report a problem with these data
Target
Metallo-beta-lactamase type 2
Ligand
BDBM367676
Substrate
n/a
Meas. Tech.
MBL Inhibitory Activity in Constructed E. coli Cells Expressing MBLs
IC50
380±n/a nM
Citation
 Rongved, P; Åstrand, OA; Bayer, A; Leiros, HS; Samuelsen, null; Edvardsen, KS; Muhammad, Z Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety US Patent  US10227327 Publication Date 3/12/2019 
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:
BDBM367676
Synonyms:
1-(1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine (OAA2168) | US10227327, Example 3
Type:
Small organic molecule
Emp. Form.:
C23H24N6O
Mol. Mass.:
400.4763
SMILES:
COc1ccc(Cn2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1
Structure:
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