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PDB code 4PVO

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metallo-beta-lactamase VIM-2 (VIM-2)

  (240/240 = 100%)
(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50247639
PNG
(CHEMBL4068716)
Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(Cl)ccc(Cl)c2Cl)C1=O
Show InChI InChI=1S/C17H17Cl3N4O2S2/c1-22-4-6-23(7-5-22)21-14(25)9-24-16(26)13(28-17(24)27)8-10-11(18)2-3-12(19)15(10)20/h2-3,8H,4-7,9H2,1H3,(H,21,25)/b13-8-
PDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 498n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa metallobeta-lactamase-2 expressed in Escherichia coli by fluorogenic assay


J Med Chem 61: 1276-1284 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01780
BindingDB Entry DOI: 10.7270/Q2B27XQN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output