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TargetBeta-lactamase NDM-1
LigandBDBM262843
Substrate/Competitorn/a
Meas. Tech.Class B Enzyme Assay
pH7±n/a
IC50 1.09±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:
BDBM262843
NameBDBM262843
Synonyms:3-[4-(pyrrolidin-3- ylamino)cyclohexyl]-2- (1H-tetrazol-5-yl)-6- (trifluoromethyl)benzene sulfonamide | US9708336, 696
TypeSmall organic molecule
Emp. Form.C18H24F3N7O2S
Mol. Mass.459.489
SMILESNS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CCNC2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:9.8,wD:12.15,(7.19,1.13,;5.85,.36,;7.19,-.41,;6.62,1.69,;4.52,-.41,;4.52,-1.95,;3.19,-2.72,;1.85,-1.95,;1.85,-.41,;.52,.36,;-.82,-.41,;-2.15,.36,;-2.15,1.9,;-.82,2.67,;.52,1.9,;-3.48,2.67,;-4.82,1.9,;-4.82,.36,;-6.28,-.12,;-7.19,1.13,;-6.28,2.37,;3.19,.36,;3.19,1.9,;1.94,2.8,;2.42,4.26,;3.96,4.26,;4.43,2.8,;5.85,-2.72,;7.19,-1.95,;5.85,-4.26,;7.19,-3.49,)|
Structure
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