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PDB code 2PFH

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 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))
BDBM16512
JPEG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
GoogleScholar
PDB
MMDB
PC cid
PC sid
PDB
-46.728.8-75.58.18824.9



UMR 7104 du CNRS





J Med Chem 48: 5659-65 (2005)

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

(Homo sapiens (Human))
BDBM16313
JPEG
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...)
GoogleScholar
PDB
DrugBank
MMDB
PC cid
PC sid
PDB
-40.9n/an/a7.17n/a24.9



Philipps-University Marburg





J Mol Biol 356: 45-56 (2006)

Aldose Reductase (ALR2) Mutant (L300P)  (315/316 > 99%)

(Homo sapiens (human))
BDBM16512
JPEG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
GoogleScholar
PDB
MMDB
PC cid
PC sid
PDB
-38.929.7-68.66.81824.9



UMR 7104 du CNRS





J Med Chem 48: 5659-65 (2005)


Similar Ligands in BindingDB*

Found 3 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))
BDBM16512
JPEG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
GoogleScholar
PDB
MMDB
PC cid
PC sid
PDB
-46.728.8-75.58.18824.9



UMR 7104 du CNRS





J Med Chem 48: 5659-65 (2005)

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

(Homo sapiens (Human))
BDBM16313
JPEG
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...)
GoogleScholar
PDB
DrugBank
MMDB
PC cid
PC sid
PDB
-40.9n/an/a7.17n/a24.9



Philipps-University Marburg





J Mol Biol 356: 45-56 (2006)

Aldose Reductase (ALR2) Mutant (L300P)  (315/316 > 99%)

(Homo sapiens (human))
BDBM16512
JPEG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
GoogleScholar
PDB
MMDB
PC cid
PC sid
PDB
-38.929.7-68.66.81824.9



UMR 7104 du CNRS





J Med Chem 48: 5659-65 (2005)

Search BindingMOAD for More Affinity Data:

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