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Found 8 hits Enz. Inhib. hit(s) with Target = 'Pentachlorophenol hydroxylase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pentachlorophenol hydroxylase


(Sphingobium chlorophenolicum)
BDBM92749
PNG
(Pentachlorophenol (PCP))
Show SMILES Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
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PC sid
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Article
PubMed
n/an/an/a<50n/an/an/an/an/a



University of Colorado Boulder



Assay Description
Formation of the hydroxylated product and depletion of NADPH were measured following ethyl acetate extraction of the reaction mixture.


Biochemistry 51: 3848-60 (2012)


Article DOI: 10.1021/bi300261p
BindingDB Entry DOI: 10.7270/Q24T6H0M
More data for this
Ligand-Target Pair
Pentachlorophenol hydroxylase


(Sphingobium chlorophenolicum)
BDBM92751
PNG
(Tetrachlorohydroquinone (TCHQ))
Show SMILES Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl
Show InChI InChI=1S/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H
UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/an/a 4.20E+3n/an/an/an/an/a



University of Colorado Boulder



Assay Description
Formation of the hydroxylated product and depletion of NADPH were measured following ethyl acetate extraction of the reaction mixture.


Biochemistry 51: 3848-60 (2012)


Article DOI: 10.1021/bi300261p
BindingDB Entry DOI: 10.7270/Q24T6H0M
More data for this
Ligand-Target Pair
Pentachlorophenol hydroxylase


(Sphingobium chlorophenolicum)
BDBM92752
PNG
(2,4,6-Trichlorophenol (2,4,6-TriCP))
Show SMILES Oc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
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Article
PubMed
n/an/an/a 7.00E+3n/an/an/an/an/a



University of Colorado Boulder



Assay Description
Formation of the hydroxylated product and depletion of NADPH were measured following ethyl acetate extraction of the reaction mixture.


Biochemistry 51: 3848-60 (2012)


Article DOI: 10.1021/bi300261p
BindingDB Entry DOI: 10.7270/Q24T6H0M
More data for this
Ligand-Target Pair
Pentachlorophenol hydroxylase


(Sphingobium chlorophenolicum)
BDBM92750
PNG
(2,3,4,6-Tetrachlorophenol (TCP))
Show SMILES Oc1c(Cl)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
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PubMed
n/an/an/a 1.10E+4n/an/an/an/an/a



University of Colorado Boulder



Assay Description
Formation of the hydroxylated product and depletion of NADPH were measured following ethyl acetate extraction of the reaction mixture.


Biochemistry 51: 3848-60 (2012)


Article DOI: 10.1021/bi300261p
BindingDB Entry DOI: 10.7270/Q24T6H0M
More data for this
Ligand-Target Pair
Pentachlorophenol hydroxylase


(Sphingobium chlorophenolicum)
BDBM92753
PNG
(2,6-Dichlorophenol | 2,6-Dichlorophenol (2,6-DCP))
Show SMILES Oc1c(Cl)cccc1Cl
Show InChI InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
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Article
PubMed
n/an/an/a 4.55E+4n/an/an/an/an/a



University of Colorado Boulder



Assay Description
Formation of the hydroxylated product and depletion of NADPH were measured following ethyl acetate extraction of the reaction mixture.


Biochemistry 51: 3848-60 (2012)


Article DOI: 10.1021/bi300261p
BindingDB Entry DOI: 10.7270/Q24T6H0M
More data for this
Ligand-Target Pair
Pentachlorophenol hydroxylase


(Sphingobium chlorophenolicum)
BDBM91350
PNG
(3,4,5-trichlorophenol | 3,4,5-tris(chloranyl)pheno...)
Show SMILES Oc1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a>5.00E+5n/an/an/an/an/a



University of Colorado Boulder



Assay Description
Formation of the hydroxylated product and depletion of NADPH were measured following ethyl acetate extraction of the reaction mixture.


Biochemistry 51: 3848-60 (2012)


Article DOI: 10.1021/bi300261p
BindingDB Entry DOI: 10.7270/Q24T6H0M
More data for this
Ligand-Target Pair
Pentachlorophenol hydroxylase


(Sphingobium chlorophenolicum)
BDBM92754
PNG
(3,5-Dichlorphenol (3,5-DCP))
Show SMILES Oc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a>5.00E+5n/an/an/an/an/a



University of Colorado Boulder



Assay Description
Formation of the hydroxylated product and depletion of NADPH were measured following ethyl acetate extraction of the reaction mixture.


Biochemistry 51: 3848-60 (2012)


Article DOI: 10.1021/bi300261p
BindingDB Entry DOI: 10.7270/Q24T6H0M
More data for this
Ligand-Target Pair
Pentachlorophenol hydroxylase


(Sphingobium chlorophenolicum)
BDBM36301
PNG
(2-Chlorophenol (2-CP) | 2-chlorophenol)
Show SMILES Oc1ccccc1Cl
Show InChI InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



University of Colorado Boulder



Assay Description
Formation of the hydroxylated product and depletion of NADPH were measured following ethyl acetate extraction of the reaction mixture.


Biochemistry 51: 3848-60 (2012)


Article DOI: 10.1021/bi300261p
BindingDB Entry DOI: 10.7270/Q24T6H0M
More data for this
Ligand-Target Pair