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Target
Metallo-beta-lactamase type 2
Ligand
BDBM262841
Substrate
n/a
Meas. Tech.
Class B Enzyme Assay
pH
7±n/a
IC50
18.6±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:
BDBM262841
Synonyms:
3-{4-[(3- aminocyclobutyl)amino] cyclohexyl}-2-(1H- tetrazol-5-yl)-6- (trifluoromethyl)benzene sulfonamide | US9708336, 694 | US9708336, 702
Type:
Small organic molecule
Emp. Form.:
C18H24F3N7O2S
Mol. Mass.:
459.489
SMILES:
NC1CC(C1)N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:9.13,wD:6.6,(-7.61,.04,;-6.28,.81,;-5.88,2.29,;-4.39,1.9,;-4.79,.41,;-3.06,2.67,;-1.72,1.9,;-1.72,.36,;-.39,-.41,;.94,.36,;.94,1.9,;-.39,2.67,;2.28,-.41,;2.28,-1.95,;3.61,-2.72,;4.94,-1.95,;4.94,-.41,;3.61,.36,;3.61,1.9,;2.36,2.8,;2.84,4.26,;4.38,4.26,;4.86,2.8,;6.28,.36,;7.61,1.13,;7.61,-.41,;7.05,1.69,;6.28,-2.72,;7.61,-1.95,;6.28,-4.26,;7.61,-3.49,)|
Structure:
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