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Target
Metallo-beta-lactamase type 2
Ligand
BDBM262830
Substrate
n/a
Meas. Tech.
Class B Enzyme Assay
pH
7±n/a
IC50
154±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:
Metallo-beta-lactamase type 2
Synonyms:
B2 metallo-beta-lactamase | BLA-IMP | BLAB_SERMA | Beta-lactamase type II | IMP-1 | Metallo-beta-lactamase type II
Type:
undefined
Mol. Mass.:
27125.88
Organism:
Serratia marcescens
Description:
P52699
Residue:
246
Sequence:
MSKLSVFFIFLFCSIATAAESLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNAEAYLIDTPFTAKDTEKLVTWFVERGYKIKGSISSHFHSDSTGGIEWLNSRSIPTYASELTNELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWLPERKILFGGCFIKPYGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHSEVGDASLLKLTLEQAVKGLNESKKPSKPSN
  
Inhibitor
Name:
BDBM262830
Synonyms:
3-{4-[(1-piperidin-4- ylethyl)amino]cyclohexyl}- 2-(1H-tetrazol-5-yl)-6- (trifluoromethyl)benzene sulfonamide | US9708336, 683
Type:
Small organic molecule
Emp. Form.:
C21H30F3N7O2S
Mol. Mass.:
501.569
SMILES:
CC(N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F)C1CCNCC1 |r,wU:6.9,wD:3.2,(-4,,;-4,1.54,;-2.67,2.31,;-1.33,1.54,;-1.33,,;,-.77,;1.33,,;1.33,1.54,;,2.31,;2.67,-.77,;2.67,-2.31,;4,-3.08,;5.33,-2.31,;5.33,-.77,;4,,;4,1.54,;2.76,2.45,;3.23,3.91,;4.77,3.91,;5.25,2.45,;6.67,,;8,.77,;8,-.77,;7.44,1.33,;6.67,-3.08,;8,-2.31,;6.67,-4.62,;8,-3.85,;-5.33,2.31,;-5.33,3.85,;-6.67,4.62,;-8,3.85,;-8,2.31,;-6.67,1.54,)|
Structure:
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