Reaction Details Report a problem with these data
Target
Metallo-beta-lactamase type 2
Ligand
BDBM361044
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
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:
BDBM361044
Synonyms:
(S)N1-(1-amino-3-hydroxypropan-2-yl)-4-(2-aminobenzo[d]thiazol-4-yl)-3-(1H-tetrazol-5-yl)benzene-1,2-disulfonamide | US10221163, Example 201 | US10544130, Example 201
Type:
Small organic molecule
Emp. Form.:
C17H19N9O5S3
Mol. Mass.:
525.585
SMILES:
NCC(CO)NS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O