Reaction Details Report a problem with these data
Target
VIM-1 metallo-beta-lactamase
Ligand
BDBM262771
Substrate
n/a
Meas. Tech.
Class B Enzyme Assay
pH
7±n/a
IC50
559±n/a nM
Comments
extracted
Citation
 Mandal, M; Tang, H; Xiao, L; Su, J; Li, G; Yang, S; Pan, W; Tang, H; DeJesus, R; Hicks, J; Lombardo, M; Chu, H; Hagmann, W; Pasternak, A; Gu, X; Jiang, J; Dong, S; Ding, F; London, C; Biswas, D; Young, K; Hunter, DN; Zhao, Z; Yang, D Metallo-beta-lactamase inhibitors US Patent  US9708336 Publication Date 7/18/2017 
Target
Name:
VIM-1 metallo-beta-lactamase
Synonyms:
Beta-lactamase VIM-1 | VIM-1 | VIM-1 metallo-beta-lactamase | blaVIM-1
Type:
undefined
Mol. Mass.:
28014.53
Organism:
Klebsiella pneumoniae
Description:
Q5GN09
Residue:
266
Sequence:
MLKVISSLLVYMTASVMAVASPLAHSGEPSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKNRSVAE
  
Inhibitor
Name:
BDBM262771
Synonyms:
3-[6-[3-(1-hydroxy-1-methyl- ethyl)azetidin-1-yl]-3-pyridyl]- 2-(1H-tetrazol-5- yl)benzenesulfonamide | US9708336, 624
Type:
Small organic molecule
Emp. Form.:
C18H21N7O3S
Mol. Mass.:
415.469
SMILES:
CC(C)(O)C1CN(C1)c1ccc(cn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: