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Target
Metallo-beta-lactamase type 2
Ligand
BDBM262688
Substrate
n/a
Meas. Tech.
Class B Enzyme Assay
pH
7±n/a
IC50
0.133±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:
BDBM262688
Synonyms:
3-(2-Aminobenzo[d]thiazol-4-yl)-6- (2-(4-aminocyclohexyl)ethyl)-2-(2H- tetrazol-5-yl)benzenesulfonamide | US9708336, 541
Type:
Small organic molecule
Emp. Form.:
C22H26N8O2S2
Mol. Mass.:
498.624
SMILES:
NC1CCC(CCc2ccc(-c3cccc4sc(N)nc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |(-1.36,-5.8,;-.02,-5.03,;-.02,-3.49,;1.31,-2.72,;2.64,-3.49,;3.98,-2.72,;3.98,-1.18,;2.64,-.41,;1.31,-1.18,;-.02,-.41,;-.02,1.13,;-1.36,1.9,;-1.36,3.44,;-2.69,4.21,;-4.02,3.44,;-4.02,1.9,;-5.17,.86,;-4.54,-.54,;-5.31,-1.88,;-3.01,-.38,;-2.69,1.13,;1.31,1.9,;1.31,3.44,;.06,4.34,;.54,5.8,;2.08,5.8,;2.56,4.34,;2.64,1.13,;3.98,1.9,;4.75,.56,;3.21,3.23,;5.31,2.67,;2.64,-5.03,;1.31,-5.8,)|
Structure:
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