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TargetBeta-lactamase NDM-1
LigandBDBM262829
Substrate/Competitorn/a
Meas. Tech.Class B Enzyme Assay
pH7±n/a
IC50 4.12±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:
BDBM262829
NameBDBM262829
Synonyms:3-(4-{[(6-aminopyridin-3- yl)methyl]amino}cyclohex- yl)-2-(1H-tetrazol-5-yl)- 6- (trifluoromethyl)benzene sulfonamide | US9708336, 682
TypeSmall organic molecule
Emp. Form.C20H23F3N8O2S
Mol. Mass.496.509
SMILESNc1ccc(CN[C@H]2CCC(CC2)c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)cn1 |r,wD:7.6,(-5.33,-4.26,;-5.33,-2.72,;-4,-1.95,;-4,-.41,;-5.33,.36,;-5.33,1.9,;-4,2.67,;-2.67,1.9,;-2.67,.36,;-1.33,-.41,;,.36,;,1.9,;-1.33,2.67,;1.33,-.41,;1.33,-1.95,;2.67,-2.72,;4,-1.95,;4,-.41,;2.67,.36,;2.67,1.9,;1.42,2.8,;1.9,4.26,;3.44,4.26,;3.91,2.8,;5.33,.36,;6.67,1.13,;6.67,-.41,;6.1,1.69,;5.33,-2.72,;6.67,-1.95,;5.33,-4.26,;6.67,-3.49,;-6.67,-.41,;-6.67,-1.95,)|
Structure
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