BindingDB logo
myBDB logout

PubMed code 26214585

Compile data set for download or QSAR
Found 23 hits of 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163663
PNG
(2‐[6‐(4‐Chlorophenyl)‐3...)
Show SMILES [O-]C(=O)CC1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 |c:18|
Show InChI InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
8.00E+3 -28.8n/an/an/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Caenorhabditis elegans (Roundworm))
BDBM163663
PNG
(2‐[6‐(4‐Chlorophenyl)‐3...)
Show SMILES [O-]C(=O)CC1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 |c:18|
Show InChI InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/p-1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
2.50E+4 -26.0n/an/an/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Mycobacterium tuberculosis H37Rv)
BDBM163663
PNG
(2‐[6‐(4‐Chlorophenyl)‐3...)
Show SMILES [O-]C(=O)CC1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 |c:18|
Show InChI InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/p-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
3.10E+4 -25.5n/an/an/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
UDP-galactopyranose mutase


(Corynebacterium diphtheriae)
BDBM163663
PNG
(2‐[6‐(4‐Chlorophenyl)‐3...)
Show SMILES [O-]C(=O)CC1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 |c:18|
Show InChI InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/p-1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
7.70E+4 -23.2n/an/an/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163657
PNG
(2‐[3‐(Furan‐2‐yl)‐6&...)
Show SMILES [O-]C(=O)CC1Sc2nnc(-c3ccco3)n2N=C1c1ccccc1 |c:18|
Show InChI InChI=1S/C16H12N4O3S/c21-13(22)9-12-14(10-5-2-1-3-6-10)19-20-15(11-7-4-8-23-11)17-18-16(20)24-12/h1-8,12H,9H2,(H,21,22)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80E+4 -23.2n/an/an/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163666
PNG
(2‐[3‐(Furan‐2‐yl)‐6&...)
Show SMILES Cc1ccc(cc1)C1=Nn2c(SC1CC([O-])=O)nnc2-c1ccco1 |t:8|
Show InChI InChI=1S/C17H14N4O3S/c1-10-4-6-11(7-5-10)15-13(9-14(22)23)25-17-19-18-16(21(17)20-15)12-3-2-8-24-12/h2-8,13H,9H2,1H3,(H,22,23)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.30E+4n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163669
PNG
(2‐{3‐[(4‐fluorophenyl)methyl]...)
Show SMILES Cc1ccc(cc1)C1=Nn2c(Cc3ccc(F)cc3)nnc2SC1CC([O-])=O |t:8|
Show InChI InChI=1S/C20H17FN4O2S/c1-12-2-6-14(7-3-12)19-16(11-18(26)27)28-20-23-22-17(25(20)24-19)10-13-4-8-15(21)9-5-13/h2-9,16H,10-11H2,1H3,(H,26,27)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 9.90E+3n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163671
PNG
(2‐{3‐[(4‐Bromophenyl)methyl]R...)
Show SMILES [O-]C(=O)CC1Sc2nnc(Cc3ccc(Br)cc3)n2N=C1c1ccc(Cl)cc1 |c:21|
Show InChI InChI=1S/C19H14BrClN4O2S/c20-13-5-1-11(2-6-13)9-16-22-23-19-25(16)24-18(15(28-19)10-17(26)27)12-3-7-14(21)8-4-12/h1-8,15H,9-10H2,(H,26,27)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.00E+3n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163662
PNG
(2‐[6‐(4‐Chlorophenyl)‐7H&#...)
Show SMILES [O-]C(=O)CC1Sc2nncn2N=C1c1ccc(Cl)cc1 |c:12|
Show InChI InChI=1S/C12H9ClN4O2S/c13-8-3-1-7(2-4-8)11-9(5-10(18)19)20-12-15-14-6-17(12)16-11/h1-4,6,9H,5H2,(H,18,19)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.40E+4n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163663
PNG
(2‐[6‐(4‐Chlorophenyl)‐3...)
Show SMILES [O-]C(=O)CC1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 |c:18|
Show InChI InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 9.00E+3n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163672
PNG
(2‐[3‐(4‐Chlorophenoxymethyl)R...)
Show SMILES [O-]C(=O)CC1Sc2nnc(COc3ccc(Cl)cc3)n2N=C1c1cccs1 |c:22|
Show InChI InChI=1S/C17H13ClN4O3S2/c18-10-3-5-11(6-4-10)25-9-14-19-20-17-22(14)21-16(12-2-1-7-26-12)13(27-17)8-15(23)24/h1-7,13H,8-9H2,(H,23,24)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.30E+4n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163659
PNG
(2‐{3‐Cyclopropyl‐6‐phenyl&...)
Show SMILES [O-]C(=O)CC1Sc2nnc(C3CC3)n2N=C1c1ccccc1 |c:16|
Show InChI InChI=1S/C15H14N4O2S/c20-12(21)8-11-13(9-4-2-1-3-5-9)18-19-14(10-6-7-10)16-17-15(19)22-11/h1-5,10-11H,6-8H2,(H,20,21)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.50E+4n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163660
PNG
(2‐[3‐(4‐Fluorophenyl)‐6...)
Show SMILES [O-]C(=O)CC1Sc2nnc(-c3ccc(F)cc3)n2N=C1c1ccccc1 |c:20|
Show InChI InChI=1S/C18H13FN4O2S/c19-13-8-6-12(7-9-13)17-20-21-18-23(17)22-16(11-4-2-1-3-5-11)14(26-18)10-15(24)25/h1-9,14H,10H2,(H,24,25)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.90E+4n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163665
PNG
(2‐[3‐(4‐Chlorophenoxymethyl)R...)
Show SMILES Cc1ccc(cc1)C1=Nn2c(COc3ccc(Cl)cc3)nnc2SC1CC([O-])=O |t:8|
Show InChI InChI=1S/C20H17ClN4O3S/c1-12-2-4-13(5-3-12)19-16(10-18(26)27)29-20-23-22-17(25(20)24-19)11-28-15-8-6-14(21)7-9-15/h2-9,16H,10-11H2,1H3,(H,26,27)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 9.00E+3n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163667
PNG
(2‐[6‐(4‐Chlorophenyl)‐3...)
Show SMILES COc1ccccc1-c1nnc2SC(CC([O-])=O)C(=Nn12)c1ccc(Cl)cc1 |c:19|
Show InChI InChI=1S/C19H15ClN4O3S/c1-27-14-5-3-2-4-13(14)18-21-22-19-24(18)23-17(15(28-19)10-16(25)26)11-6-8-12(20)9-7-11/h2-9,15H,10H2,1H3,(H,25,26)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.40E+4n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163670
PNG
(2‐{3‐[(4‐Fluorophenyl)methyl]...)
Show SMILES [O-]C(=O)CC1Sc2nnc(Cc3ccc(F)cc3)n2N=C1c1cccs1 |c:21|
Show InChI InChI=1S/C17H13FN4O2S2/c18-11-5-3-10(4-6-11)8-14-19-20-17-22(14)21-16(12-2-1-7-25-12)13(26-17)9-15(23)24/h1-7,13H,8-9H2,(H,23,24)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.90E+4n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163657
PNG
(2‐[3‐(Furan‐2‐yl)‐6&...)
Show SMILES [O-]C(=O)CC1Sc2nnc(-c3ccco3)n2N=C1c1ccccc1 |c:18|
Show InChI InChI=1S/C16H12N4O3S/c21-13(22)9-12-14(10-5-2-1-3-6-10)19-20-15(11-7-4-8-23-11)17-18-16(20)24-12/h1-8,12H,9H2,(H,21,22)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 4.10E+4n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163668
PNG
(2‐[6‐(4‐Chlorophenyl)‐3...)
Show SMILES [O-]C(=O)CC1Sc2nnc(-c3ccc(F)cc3)n2N=C1c1ccc(Cl)cc1 |c:20|
Show InChI InChI=1S/C18H12ClFN4O2S/c19-12-5-1-10(2-6-12)16-14(9-15(25)26)27-18-22-21-17(24(18)23-16)11-3-7-13(20)8-4-11/h1-8,14H,9H2,(H,25,26)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.50E+4n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163664
PNG
(2‐[3‐(2‐Methylfuran‐3̴...)
Show SMILES Cc1occc1-c1nnc2SC(CC([O-])=O)C(=Nn12)c1ccccc1 |c:17|
Show InChI InChI=1S/C17H14N4O3S/c1-10-12(7-8-24-10)16-18-19-17-21(16)20-15(11-5-3-2-4-6-11)13(25-17)9-14(22)23/h2-8,13H,9H2,1H3,(H,22,23)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 9.20E+4n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163661
PNG
(2‐{3‐[(4‐Fluorophenyl)methyl]...)
Show SMILES [O-]C(=O)CC1Sc2nnc(Cc3ccc(F)cc3)n2N=C1c1ccccc1 |c:21|
Show InChI InChI=1S/C19H15FN4O2S/c20-14-8-6-12(7-9-14)10-16-21-22-19-24(16)23-18(13-4-2-1-3-5-13)15(27-19)11-17(25)26/h1-9,15H,10-11H2,(H,25,26)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.80E+4n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163673
PNG
(3‐{2,5‐Dimethyl‐3‐[2‐...)
Show SMILES Cc1cc(c(C)n1CCC([O-])=O)-c1csc(NCC=C)n1
Show InChI InChI=1S/C15H19N3O2S/c1-4-6-16-15-17-13(9-21-15)12-8-10(2)18(11(12)3)7-5-14(19)20/h4,8-9H,1,5-7H2,2-3H3,(H,16,17)(H,19,20)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.00E+3n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
Polarization for the fluorescein-UDP conjugated probe in the presence of inhibitors was measured on a Tecan M1000 microplate reader, exciting with 47...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163657
PNG
(2‐[3‐(Furan‐2‐yl)‐6&...)
Show SMILES [O-]C(=O)CC1Sc2nnc(-c3ccco3)n2N=C1c1ccccc1 |c:18|
Show InChI InChI=1S/C16H12N4O3S/c21-13(22)9-12-14(10-5-2-1-3-6-10)19-20-15(11-7-4-8-23-11)17-18-16(20)24-12/h1-8,12H,9H2,(H,21,22)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 4.30E+4n/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
Polarization for the fluorescein-UDP conjugated probe in the presence of inhibitors was measured on a Tecan M1000 microplate reader, exciting with 47...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
Probable UDP-galactopyranose mutase


(Klebsiella pneumoniae (Enterobacteria))
BDBM163658
PNG
(2‐[6‐(4‐Fluorophenyl)‐3...)
Show SMILES [O-]C(=O)CC1Sc2nnc(-c3ccco3)n2N=C1c1ccc(F)cc1 |c:18|
Show InChI InChI=1S/C16H11FN4O3S/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>1.00E+5n/an/an/an/a22



University of Wisconsin-Madison



Assay Description
Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...


ACS Chem Biol 10: 2209-18 (2015)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q2FQ9VB4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%