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PDB code 5W13

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
ADC-7 beta-lactamase (ADC-7)

  (360/360 = 100%)
(Acinetobacter baumannii (g-Proteobacteria))
BDBM152694
PNG
(SM23)
Show SMILES OB(O)[C@@H](NC(=O)Cc1cccs1)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1
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DrugBank
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
21.1 -43.8n/a 90n/an/an/a7.425



Grand Valley State University



Assay Description
Steady state kinetics assays were performed on a Cary 100 UV−vis spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4) with 2 nM ADC-7....


Biochemistry 53: 7670-9 (2014)


Article DOI: 10.1021/bi500887n
BindingDB Entry DOI: 10.7270/Q2GM8614
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Identical Ligands in BindingDB

Found 1 hit Isothermal Titration Calorimetry Data
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
ADC-7 beta-lactamase (ADC-7)  (360/360 = 100%)

(Acinetobacter baumannii (g-Proteobacteria))
BDBM152694
JPEG
(SM23)
GoogleScholar
PDB
DrugBank
PC cid
PC sid
PDB
-40.2-17.5-237.047.4025



Grand Valley State University





Biochemistry 53: 7670-9 (2014)


Similar Ligands in BindingDB*

Found 1 hit Isothermal Titration Calorimetry Data
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
ADC-7 beta-lactamase (ADC-7)  (360/360 = 100%)

(Acinetobacter baumannii (g-Proteobacteria))
BDBM152694
JPEG
(SM23)
GoogleScholar
PDB
DrugBank
PC cid
PC sid
PDB
-40.2-17.5-237.047.4025



Grand Valley State University





Biochemistry 53: 7670-9 (2014)

Search BindingMOAD for More Affinity Data:

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