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Target
Metallo-beta-lactamase type 2
Ligand
BDBM360912
Substrate
n/a
IC50
0.020±n/a nM
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 
Target
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:
MELPNIMHPVAKLSTALAAALMLSGCMPGEIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR
  
Inhibitor
Name:
BDBM360912
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
Type:
Small organic molecule
Emp. Form.:
C40H46IN7O9S2
Mol. Mass.:
959.869
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
Structure:
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