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TargetBeta-lactamase NDM-1
LigandBDBM262826
Substrate/Competitorn/a
Meas. Tech.Class B Enzyme Assay
pH7±n/a
IC50 19.8±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:
BDBM262826
NameBDBM262826
Synonyms:3-{4-[(3aS,6S,7aS)- octahydro-1H-indol-6- ylamino]cyclohexyl}-2- (1H-tetrazol-5-yl)-6- (trifluoromethyl)benzene sulfonamide | US9708336, 679
TypeSmall organic molecule
Emp. Form.C22H30F3N7O2S
Mol. Mass.513.58
SMILESNS(=O)(=O)c1c(ccc([C@H]2CC[C@@H](CC2)NC2CC[C@H]3CCN[C@H]3C2)c1-c1nnn[nH]1)C(F)(F)F |r,wU:23.23,19.20,9.8,wD:12.15,(8.52,1.13,;7.19,.36,;8.52,-.41,;7.96,1.69,;5.85,-.41,;5.85,-1.95,;4.52,-2.72,;3.19,-1.95,;3.19,-.41,;1.85,.36,;.52,-.41,;-.82,.36,;-.82,1.9,;.52,2.67,;1.85,1.9,;-2.15,2.67,;-3.48,1.9,;-3.48,.36,;-4.82,-.41,;-6.15,.36,;-7.61,-.12,;-8.52,1.13,;-7.61,2.37,;-6.15,1.9,;-4.82,2.67,;4.52,.36,;4.52,1.9,;3.27,2.8,;3.75,4.26,;5.29,4.26,;5.77,2.8,;7.19,-2.72,;8.52,-1.95,;7.19,-4.26,;8.52,-3.49,)|
Structure
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