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TargetBeta-lactamase NDM-1
LigandBDBM262841
Substrate/Competitorn/a
Meas. Tech.Class B Enzyme Assay
pH7±n/a
IC50 4.02±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:
BDBM262841
NameBDBM262841
Synonyms:3-{4-[(3- aminocyclobutyl)amino] cyclohexyl}-2-(1H- tetrazol-5-yl)-6- (trifluoromethyl)benzene sulfonamide | US9708336, 694 | US9708336, 702
TypeSmall organic molecule
Emp. Form.C18H24F3N7O2S
Mol. Mass.459.489
SMILESNC1CC(C1)N[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:9.13,wD:6.6,(-7.61,.04,;-6.28,.81,;-5.88,2.29,;-4.39,1.9,;-4.79,.41,;-3.06,2.67,;-1.72,1.9,;-1.72,.36,;-.39,-.41,;.94,.36,;.94,1.9,;-.39,2.67,;2.28,-.41,;2.28,-1.95,;3.61,-2.72,;4.94,-1.95,;4.94,-.41,;3.61,.36,;3.61,1.9,;2.36,2.8,;2.84,4.26,;4.38,4.26,;4.86,2.8,;6.28,.36,;7.61,1.13,;7.61,-.41,;7.05,1.69,;6.28,-2.72,;7.61,-1.95,;6.28,-4.26,;7.61,-3.49,)|
Structure
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