Reaction Details Report a problem with these data
Target
Metallo-beta-lactamase type 2
Ligand
BDBM367850
Substrate
n/a
Meas. Tech.
Enzyme Activity
IC50
0.081±n/a nM
Citation
 Bennett, F; Jiang, J; Pasternak, A; Dong, S; Gu, X; Scott, JD; Tang, H; Zhao, Z; Huang, Y; Hunter, D; Yang, D; Young, K; Xiao, L; Zhang, Z; Fu, J; Bai, Y; Zheng, Z; Zhang, X Metallo-beta-lactamase inhibitors US Patent  US10227331 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:
BDBM367850
Synonyms:
3-(2-amino-4-oxo-3,4- dihydroquinazolin-8-yl)-6- (azetidin-3-ylsulfonyl)-2- (2H-tetrazol-5- yl)benzenesulfonamide | US10227331, Example 37
Type:
Small organic molecule
Emp. Form.:
C18H17N9O5S2
Mol. Mass.:
503.515
SMILES:
Nc1nc2c(cccc2c(=O)[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)C1CNC1
Structure:
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