Reaction Details |
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Target | Metallo-beta-lactamase type 2 |
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Ligand | BDBM367891 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Enzyme Activity |
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IC50 | 0.058±n/a nM |
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Citation | Bennett, F; Jiang, J; Pasternak, A; Dong, S; Gu, X; Scott, JD; Tang, H; Zhao, Z; Huang, Y; Hunter, D; Yang, D; Young, K; Xiao, L; Zhang, Z; Fu, J; Bai, Y; Zheng, Z; Zhang, X Metallo-beta-lactamase inhibitors US Patent US10227331 Publication Date 3/12/2019 |
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More Info.: | Get all data from this article, Assay Method |
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Metallo-beta-lactamase type 2 |
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Name: | Metallo-beta-lactamase type 2 |
Synonyms: | B2 metallo-beta-lactamase | BLAN1_KLEPN | Beta-lactamase NDM-1 | 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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BDBM367891 |
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n/a |
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Name | BDBM367891 |
Synonyms: | (S)-tert-butyl (1-((2-(N,N-bis(4- methoxybenzyl)sulfamoyl)-4- iodo-3-(2-(4-methoxybenzyl)- 2H-tetrazol-5- yl)phenyl)sulfonyl)-3- hydroxypropan-2-yl)carbamate | US10227331, Example 78 |
Type | Small organic molecule |
Emp. Form. | C39H45IN6O10S2 |
Mol. Mass. | 948.843 |
SMILES | COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@H](CO)NC(=O)OC(C)(C)C)cc1 |r| |
Structure |
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