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PDB code 4QR6

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits 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
Aldose reductase (AR)  (315/316 > 99%)

(Homo sapiens (Human))
BDBM228825
JPEG
(2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...)
GoogleScholar
PDB
PC cid
PC sid
PDB
-41.7-8.94-50.6n/a824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)

Aldose reductase (AR)  (315/316 > 99%)

(Homo sapiens (Human))
BDBM228825
JPEG
(2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...)
GoogleScholar
PDB
PC cid
PC sid
PDB
-41.5-12.5-5410.3824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)


Similar Ligands in BindingDB*

Found 2 hits 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
Aldose reductase (AR)  (315/316 > 99%)

(Homo sapiens (Human))
BDBM228825
JPEG
(2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...)
GoogleScholar
PDB
PC cid
PC sid
PDB
-41.7-8.94-50.6n/a824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)

Aldose reductase (AR)  (315/316 > 99%)

(Homo sapiens (Human))
BDBM228825
JPEG
(2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-flu...)
GoogleScholar
PDB
PC cid
PC sid
PDB
-41.5-12.5-5410.3824.9



Philipps-Universitšt Marburg





ACS Chem Biol 12: 1397-1415 (2017)

Search BindingMOAD for More Affinity Data:

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