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Target
VIM-1 metallo-beta-lactamase
Ligand
BDBM262838
Substrate
n/a
Meas. Tech.
Class B Enzyme Assay
pH
7±n/a
IC50
8.38±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:
BDBM262838
Synonyms:
3-{4-[(3- aminocyclopentyl)amino] cyclohexyl}-2-(1H- tetrazol-5-yl)-6- (trifluoromethyl)benzene sulfonamide | US9708336, 691 | US9708336, 703
Type:
Small organic molecule
Emp. Form.:
C19H26F3N7O2S
Mol. Mass.:
473.516
SMILES:
NC1CCC(C1)N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:10.14,wD:7.7,(-7.96,1.13,;-6.42,1.13,;-5.51,-.12,;-4.05,.36,;-4.05,1.9,;-5.51,2.37,;-2.71,2.67,;-1.38,1.9,;-1.38,.36,;-.05,-.41,;1.29,.36,;1.29,1.9,;-.05,2.67,;2.62,-.41,;2.62,-1.95,;3.96,-2.72,;5.29,-1.95,;5.29,-.41,;3.96,.36,;3.96,1.9,;2.71,2.8,;3.19,4.26,;4.73,4.26,;5.2,2.8,;6.62,.36,;7.96,1.13,;7.96,-.41,;7.39,1.69,;6.62,-2.72,;7.96,-1.95,;6.62,-4.26,;7.96,-3.49,)|
Structure:
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