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Target
VIM-1 metallo-beta-lactamase
Ligand
BDBM262609
Substrate
n/a
Meas. Tech.
Class B Enzyme Assay
pH
7±n/a
IC50
1.67±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:
BDBM262609
Synonyms:
4-(2-((1r,4s)-4- aminocyclohexyl)ethyl)-4′-(piperidin-4-yl)-2-(2H- tetrazol-5-yl)-[1,1′-biphenyl]-3-sulfonamide | US9708336, 461
Type:
Small organic molecule
Emp. Form.:
C26H35N7O2S
Mol. Mass.:
509.667
SMILES:
N[C@H]1CC[C@H](CCc2ccc(-c3ccc(cc3)C3CCNCC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |r,wU:4.4,wD:1.0,(10.39,-2.52,;8.85,-2.52,;8.08,-1.18,;6.54,-1.18,;5.78,-2.52,;4.23,-2.52,;3.47,-1.18,;1.93,-1.18,;1.15,-2.52,;-.38,-2.52,;-1.15,-1.18,;-2.69,-1.18,;-3.47,.15,;-5,.15,;-5.78,-1.18,;-5,-2.52,;-3.47,-2.52,;-7.31,-1.18,;-8.08,.15,;-9.63,.15,;-10.39,-1.18,;-9.63,-2.52,;-8.08,-2.52,;-.38,.15,;-1.15,1.48,;-2.69,1.48,;-3.17,2.95,;-1.93,3.85,;-.68,2.95,;1.15,.15,;1.93,1.48,;3.26,.71,;2.69,2.82,;.59,2.25,;6.54,-3.85,;8.08,-3.85,)|
Structure:
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