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Found 14 hits Enz. Inhib. hit(s) with Target = 'Glucose-1-phosphate thymidylyltransferase (RmlA)'   
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
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93083
PNG
(Analogue of 1a, 8a)
Show SMILES CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H18N4O4S/c1-21(27(25,26)14-10-6-3-7-11-14)15-16(19)22(18(24)20-17(15)23)12-13-8-4-2-5-9-13/h2-11H,12,19H2,1H3,(H,20,23,24)
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Article
PubMed
n/an/a 73n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93086
PNG
(Analogue of 1a, 8b)
Show SMILES CCN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H20N4O4S/c1-2-23(28(26,27)15-11-7-4-8-12-15)16-17(20)22(19(25)21-18(16)24)13-14-9-5-3-6-10-14/h3-12H,2,13,20H2,1H3,(H,21,24,25)
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KEGG

UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/a 102n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93093
PNG
(Analogue of 1a, 8t)
Show SMILES CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccco1
Show InChI InChI=1S/C16H16N4O5S/c1-19(26(23,24)12-8-5-9-25-12)13-14(17)20(16(22)18-15(13)21)10-11-6-3-2-4-7-11/h2-9H,10,17H2,1H3,(H,18,21,22)
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Article
PubMed
n/an/a 105n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93090
PNG
(Analogue of 1a, 8j)
Show SMILES CCCCS(=O)(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H22N4O4S/c1-3-4-10-25(23,24)19(2)13-14(17)20(16(22)18-15(13)21)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11,17H2,1-2H3,(H,18,21,22)
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n/an/a 175n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93091
PNG
(Analogue of 1a, 8k)
Show SMILES CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4O4S/c1-22(28(26,27)14-9-7-13(19)8-10-14)15-16(20)23(18(25)21-17(15)24)11-12-5-3-2-4-6-12/h2-10H,11,20H2,1H3,(H,21,24,25)
PDB
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KEGG

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Article
PubMed
n/an/a 205n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93080
PNG
(Analogue of 1a, 1)
Show SMILES CCCCn1c(N)c(N(C)S(=O)(=O)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H20N4O4S/c1-3-4-10-19-13(16)12(14(20)17-15(19)21)18(2)24(22,23)11-8-6-5-7-9-11/h5-9H,3-4,10,16H2,1-2H3,(H,17,20,21)
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Article
PubMed
n/an/a 210n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93092
PNG
(Analogue of 1a, 8p)
Show SMILES CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C19H20N4O4S/c1-13-7-6-10-15(11-13)28(26,27)22(2)16-17(20)23(19(25)21-18(16)24)12-14-8-4-3-5-9-14/h3-11H,12,20H2,1-2H3,(H,21,24,25)
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PubMed
n/an/a 387n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93081
PNG
(Analogue of 1a, 2)
Show SMILES Nc1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H11N3O3/c12-8-9(15)13-11(17)14(10(8)16)6-7-4-2-1-3-5-7/h1-5,16H,6,12H2,(H,13,15,17)
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PubMed
n/an/a 1.14E+3n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93085
PNG
(Analogue of 1a, 15a)
Show SMILES Nc1c(NS(=O)(=O)c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C17H16N4O4S/c18-15-14(20-26(24,25)13-9-5-2-6-10-13)16(22)19-17(23)21(15)11-12-7-3-1-4-8-12/h1-10,20H,11,18H2,(H,19,22,23)
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Article
PubMed
n/an/a 1.32E+3n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93089
PNG
(Analogue of 1a, 12b)
Show SMILES CCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H16N4O2/c1-2-15-10-11(14)17(13(19)16-12(10)18)8-9-6-4-3-5-7-9/h3-7,15H,2,8,14H2,1H3,(H,16,18,19)
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PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93082
PNG
(Analogue of 1a, 5)
Show SMILES CCCCn1c(N)c(N(C)C(=O)c2ccco2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H18N4O4/c1-3-4-7-18-11(15)10(12(19)16-14(18)21)17(2)13(20)9-6-5-8-22-9/h5-6,8H,3-4,7,15H2,1-2H3,(H,16,19,21)
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UniChem
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PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93087
PNG
(Analogue of 1a, 8c)
Show SMILES CCCN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H22N4O4S/c1-2-13-24(29(27,28)16-11-7-4-8-12-16)17-18(21)23(20(26)22-19(17)25)14-15-9-5-3-6-10-15/h3-12H,2,13-14,21H2,1H3,(H,22,25,26)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93084
PNG
(Analogue of 1a, 8f)
Show SMILES CN(C(=O)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H18N4O3/c1-22(18(25)14-10-6-3-7-11-14)15-16(20)23(19(26)21-17(15)24)12-13-8-4-2-5-9-13/h2-11H,12,20H2,1H3,(H,21,24,26)
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PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM52313
PNG
(6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dio...)
Show SMILES CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H14N4O2/c1-14-9-10(13)16(12(18)15-11(9)17)7-8-5-3-2-4-6-8/h2-6,14H,7,13H2,1H3,(H,15,17,18)
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PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q26D5RMP
More data for this
Ligand-Target Pair