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Target
Metallo-beta-lactamase type 2
Ligand
BDBM262977
Substrate
n/a
Meas. Tech.
Class B Enzyme Assay
pH
7±n/a
IC50
1.93±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 | BLAN1_KLEPN | Beta-lactamase NDM-1 | Beta-lactamase type II | Metallo-beta-lactamase NDM-1 | Metallo-beta-lactamase type 2 | Metallo-beta-lactamase type II | NDM-1 | New Delhi metallo-beta-lactamase-1 | blaNDM-1
Type:
PROTEIN
Mol. Mass.:
28498.15
Organism:
Klebsiella pneumoniae
Description:
ChEMBL_103887
Residue:
270
Sequence:
MELPNIMHPVAKLSTALAAALMLSGCMPGEIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
  
Inhibitor
Name:
BDBM262977
Synonyms:
3-[4-[(1-aminocyclopropyl)methylamino]cyclohexyl]-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide | US9708336, 830
Type:
Small organic molecule
Emp. Form.:
C18H24F3N7O2S
Mol. Mass.:
459.489
SMILES:
NC1(CNC2CCC(CC2)c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)CC1 |(-6.88,2.24,;-6.88,.7,;-5.39,.3,;-4.3,1.39,;-2.81,.99,;-2.04,2.33,;-.55,1.9,;.93,2.33,;.16,.99,;-1.33,1.42,;2.41,1.93,;3.5,3.02,;4.99,2.62,;5.44,1.12,;4.3,.04,;2.81,.44,;1.72,-.65,;2.2,-2.11,;.95,-3.02,;-.29,-2.11,;.18,-.65,;4.7,-1.44,;3.93,-2.78,;6.03,-2.21,;6.03,-.67,;6.93,.72,;8.42,.32,;7.01,-.82,;7.33,2.21,;-8.36,1.1,;-7.97,-.39,)|
Structure:
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