| Reaction Details |
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 | Report a problem with these data |
| Target | Metallo-beta-lactamase type 2 |
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| Ligand | BDBM360912 |
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| Substrate/Competitor | n/a |
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| IC50 | 0.020±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; Yang, D; Young, K; Xiao, L; Zhang, Z; Fu, J Metallo-beta-lactamase inhibitors US Patent US10544130 Publication Date 1/28/2020 |
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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 |
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| 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 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 28498.15 |
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| Organism: | Klebsiella pneumoniae |
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| Description: | ChEMBL_103887 |
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| Residue: | 270 |
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| Sequence: | MELPNIMHPVAKLSTALAAALMLSGCMPGEIRPTIGQQMETGDQRFGDLVFRQLAPNVWQ
HTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTH
AHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPL
KVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAF
PKASMIVMSHSAPDSRAAITHTARMADKLR
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| BDBM360912 |
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| n/a |
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| Name | BDBM360912 |
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| Synonyms: | (R)-tert-butyl 3-(2-(N,N-bis(4- methoxybenzyl)sulfamoyl)-4- iodo-3-(2-(4-methoxybenzyl)- 2H-tetrazol-5- yl)phenylsulfonamido)pyrrolidine- 1-carboxylate | US10221163, Example 68 | US10544130, Example 72 |
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| Type | Small organic molecule |
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| Emp. Form. | C40H46IN7O9S2 |
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| Mol. Mass. | 959.869 |
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| SMILES | COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)N[C@@H]2CCN(C2)C(=O)OC(C)(C)C)cc1 |
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| Structure | 
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