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TargetBeta-lactamase NDM-1
LigandBDBM262846
Substrate/Competitorn/a
Meas. Tech.Class B Enzyme Assay
pH7±n/a
IC50 18.0±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:
BDBM262846
NameBDBM262846
Synonyms:3-(4-{[4- (aminomethyl)cyclohexyl] amino}cyclohexyl)-2- (1H-tetrazol-5-yl)-6- (trifluoromethyl)benzene sulfonamide | US9708336, 699 | US9708336, 704
TypeSmall organic molecule
Emp. Form.C21H30F3N7O2S
Mol. Mass.501.569
SMILESNCC1CCC(CC1)N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:12.16,wD:9.9,(-8,-1.95,;-8,-.41,;-6.67,.36,;-6.67,1.9,;-5.33,2.67,;-4,1.9,;-4,.36,;-5.33,-.41,;-2.67,2.67,;-1.33,1.9,;-1.33,.36,;,-.41,;1.33,.36,;1.33,1.9,;,2.67,;2.67,-.41,;2.67,-1.95,;4,-2.72,;5.33,-1.95,;5.33,-.41,;4,.36,;4,1.9,;2.76,2.8,;3.23,4.26,;4.77,4.26,;5.25,2.8,;6.67,.36,;8,1.13,;8,-.41,;7.44,1.69,;6.67,-2.72,;8,-1.95,;6.67,-4.26,;8,-3.49,)|
Structure
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