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Target
VIM-1 metallo-beta-lactamase
Ligand
BDBM262611
Substrate
n/a
Meas. Tech.
Class B Enzyme Assay
pH
7±n/a
IC50
4.42±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:
BDBM262611
Synonyms:
4-(((1r,4r)-4-aminocyclohexyl)methyl)-4′-(piperidin- 4-yl)-2-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-3- sulfonamide | US9708336, 463
Type:
Small organic molecule
Emp. Form.:
C25H33N7O2S
Mol. Mass.:
495.64
SMILES:
N[C@H]1CCC(Cc2ccc(-c3ccc(cc3)C3CCNCC3)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |r,wU:1.0,(8.47,-5.19,;7.7,-3.85,;6.16,-3.85,;5.39,-2.52,;6.16,-1.18,;5.39,.15,;3.85,.15,;3.08,-1.18,;1.54,-1.18,;.77,.15,;-.77,.15,;-1.54,1.48,;-3.08,1.48,;-3.85,.15,;-3.08,-1.18,;-1.54,-1.18,;-5.39,.15,;-6.16,1.48,;-7.7,1.48,;-8.47,.15,;-7.7,-1.18,;-6.16,-1.18,;1.54,1.48,;.77,2.82,;-.77,2.82,;-1.25,4.28,;,5.19,;1.25,4.28,;3.08,1.48,;3.85,2.82,;5.18,2.05,;4.62,4.15,;2.52,3.59,;7.7,-1.18,;8.47,-2.52,)|
Structure:
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