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TargetBeta-lactamase NDM-1
LigandBDBM262830
Substrate/Competitorn/a
Meas. Tech.Class B Enzyme Assay
pH7±n/a
IC50 31.5±n/a nM
Commentsextracted
Citation Mandal, MTang, HXiao, LSu, JLi, GYang, SPan, WTang, HDeJesus, RHicks, JLombardo, MChu, HHagmann, WPasternak, AGu, XJiang, JDong, SDing, FLondon, CBiswas, DYoung, KHunter, DNZhao, ZYang, D Metallo-beta-lactamase inhibitors US Patent US9708336 Publication Date 7/18/2017
More Info.:Get all data from this article,  Assay Method
 
Beta-lactamase NDM-1
Name:Beta-lactamase NDM-1
Synonyms:B2 metallo-beta-lactamase | 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:
MELPNIMHPVAKLSTALAAALMLSGCMPGEIRPTIGQQMETGDQRFGDLVFRQLAPNVWQ
HTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTH
AHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPL
KVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAF
PKASMIVMSHSAPDSRAAITHTARMADKLR
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  Blast E-value cutoff:
BDBM262830
NameBDBM262830
Synonyms:3-{4-[(1-piperidin-4- ylethyl)amino]cyclohexyl}- 2-(1H-tetrazol-5-yl)-6- (trifluoromethyl)benzene sulfonamide | US9708336, 683
TypeSmall organic molecule
Emp. Form.C21H30F3N7O2S
Mol. Mass.501.569
SMILESCC(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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