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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 493.5
BDBM530709
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
4
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
VIM-1 metallo-beta-lactamase
(Klebsiella pneumoniae)
BDBM530709
(US11207312, Example 2)
Show SMILES
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](N)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
0.170
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...
Citation and Details
BindingDB Entry DOI:
10.7270/Q2FN19BS
More data for this
Ligand-Target Pair
Beta-lactamase
(Pseudomonas aeruginosa)
BDBM530709
(US11207312, Example 2)
Show SMILES
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](N)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI
PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
3.37
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...
Citation and Details
BindingDB Entry DOI:
10.7270/Q2FN19BS
More data for this
Ligand-Target Pair
Metallo-beta-lactamase VIM-2
(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM530709
(US11207312, Example 2)
Show SMILES
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](N)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI
PDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
4.04
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...
Citation and Details
BindingDB Entry DOI:
10.7270/Q2FN19BS
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2
(Klebsiella pneumoniae)
BDBM530709
(US11207312, Example 2)
Show SMILES
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CC[C@@H](N)[C@H](F)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
6.51
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...
Citation and Details
BindingDB Entry DOI:
10.7270/Q2FN19BS
More data for this
Ligand-Target Pair