Reaction Details Report a problem with these data
Target
Metallo-beta-lactamase type 2
Ligand
BDBM361078
Substrate
n/a
IC50
0.031±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
More Info.:
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:
BDBM361078
Synonyms:
(R)-4-(1H-benzo[d][1,2,3]triazol-4-yl)-N1-(pyrrolidin-3-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide | US10221163, Example 235 | US10544130, Example 235
Type:
Small organic molecule
Emp. Form.:
C17H18N10O4S2
Mol. Mass.:
490.519
SMILES:
NS(=O)(=O)c1c(ccc(-c2cccc3[nH]nnc23)c1-c1nn[nH]n1)S(=O)(=O)N[C@@H]1CCNC1 |r|