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TargetBeta-lactamase NDM-1
LigandBDBM262834
Substrate/Competitorn/a
Meas. Tech.Class B Enzyme Assay
pH7±n/a
IC50 25.2±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:
BDBM262834
NameBDBM262834
Synonyms:3-{4-[(3- aminocyclohexyl)amino] cyclohexyl}-2-(1H- tetrazol-5-yl)-6- (trifluoromethyl)benzene sulfonamide | US9708336, 687
TypeSmall organic molecule
Emp. Form.C20H28F3N7O2S
Mol. Mass.487.542
SMILESNC1CCCC(C1)N[C@H]1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wD:8.8,(-6,-1.95,;-6,-.41,;-7.34,.36,;-7.34,1.9,;-6,2.67,;-4.67,1.9,;-4.67,.36,;-3.33,2.67,;-2,1.9,;-2,.36,;-.67,-.41,;.67,.36,;.67,1.9,;-.67,2.67,;2,-.41,;2,-1.95,;3.33,-2.72,;4.67,-1.95,;4.67,-.41,;3.33,.36,;3.33,1.9,;2.09,2.8,;2.56,4.26,;4.1,4.26,;4.58,2.8,;6,.36,;7.34,1.13,;7.34,-.41,;6.77,1.69,;6,-2.72,;7.34,-1.95,;6,-4.26,;7.34,-3.49,)|
Structure
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