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Target
Metallo-beta-lactamase type 2
Ligand
BDBM262732
Substrate
n/a
Meas. Tech.
Class B Enzyme Assay
pH
7±n/a
IC50
2.20±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:
BDBM262732
Synonyms:
4-(2-((1s,4r)-4- aminocyclohexyl)ethyl)-4'- (pyrrolidin-3-yl)-2-(1H- tetrazol-5-yl)-[1,1'- biphenyl]-3-sulfonamide | US9708336, 585
Type:
Small organic molecule
Emp. Form.:
C25H33N7O2S
Mol. Mass.:
495.64
SMILES:
N[C@H]1CC[C@@H](CCc2ccc(-c3ccc(cc3)C3CCNC3)c(-c3nnn[nH]3)c2S(N)(=O)=O)CC1 |r,wU:4.4,1.0,(9.52,-5.11,;8.19,-4.34,;6.86,-5.11,;5.52,-4.34,;5.52,-2.8,;4.19,-2.03,;3.42,-.7,;2.09,.07,;1.32,-1.26,;-.22,-1.26,;-.99,.07,;-2.53,.07,;-3.3,-1.26,;-4.84,-1.26,;-5.61,.07,;-4.84,1.41,;-3.3,1.41,;-7.15,.07,;-8.06,1.32,;-9.52,.84,;-9.52,-.7,;-8.06,-1.17,;-.22,1.41,;-.99,2.74,;-2.53,2.74,;-3.01,4.21,;-1.76,5.11,;-.52,4.21,;1.32,1.41,;2.09,2.74,;3.42,1.97,;3.42,3.51,;2.09,4.28,;6.86,-2.03,;8.19,-2.8,)|
Structure:
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