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USPatent US9718792

Compile data set for download or QSAR
Found 101 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
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264952
PNG
(US9718792, 95)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(cc1)[C@@H](O)CO)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C22H26N2O7S/c1-22(21(27)23-28,32(2,29)30)12-18-11-19(24-31-18)16-7-3-14(4-8-16)15-5-9-17(10-6-15)20(26)13-25/h3-10,18,20,25-26,28H,11-13H2,1-2H3,(H,23,27)/t18-,20+,22-/m1/s1
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US Patent
n/an/a<0.000100n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264726
PNG
(US9718792, 3-B)
Show SMILES CC(CC1CC(=NO1)c1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C20H22N2O5S/c1-20(19(23)21-24,28(2,25)26)13-17-12-18(22-27-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17,24H,12-13H2,1-2H3,(H,21,23)
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n/an/a 0.00100n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264749
PNG
(US9718792, 13-B)
Show SMILES CC(CC1CC(=NO1)c1ccc(C#CC2CC2)c(F)c1)(C(=O)NO)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C19H21FN2O5S/c1-19(18(23)21-24,28(2,25)26)11-15-10-17(22-27-15)14-8-7-13(16(20)9-14)6-5-12-3-4-12/h7-9,12,15,24H,3-4,10-11H2,1-2H3,(H,21,23)
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264773
PNG
(US9718792, 29)
Show SMILES C\C=C(/F)c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:11|
Show InChI InChI=1S/C17H21FN2O5S/c1-4-14(18)11-5-7-12(8-6-11)15-9-13(25-20-15)10-17(2,16(21)19-22)26(3,23)24/h4-8,13,22H,9-10H2,1-3H3,(H,19,21)/b14-4-/t13-,17-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264863
PNG
(US9718792, 60)
Show SMILES COC[C@H](O)Cc1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:20|
Show InChI InChI=1S/C24H30N2O7S/c1-24(23(28)25-29,34(3,30)31)14-21-13-22(26-33-21)19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-20(27)15-32-2/h4-11,20-21,27,29H,12-15H2,1-3H3,(H,25,28)/t20-,21-,24-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264872
PNG
(US9718792, 65)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(CO)nc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C20H23N3O6S/c1-20(19(25)22-26,30(2,27)28)10-17-9-18(23-29-17)14-5-3-13(4-6-14)15-7-8-16(12-24)21-11-15/h3-8,11,17,24,26H,9-10,12H2,1-2H3,(H,22,25)/t17-,20-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264904
PNG
(US9718792, 78 | US9718792, 85)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccncc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C19H21N3O5S/c1-19(18(23)21-24,28(2,25)26)12-16-11-17(22-27-16)15-5-3-13(4-6-15)14-7-9-20-10-8-14/h3-10,16,24H,11-12H2,1-2H3,(H,21,23)/t16-,19-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264925
PNG
(US9718792, 86)
Show SMILES COC(CO)Cc1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:20|
Show InChI InChI=1S/C24H30N2O7S/c1-24(23(28)25-29,34(3,30)31)14-20-13-22(26-33-20)19-10-8-18(9-11-19)17-6-4-16(5-7-17)12-21(15-27)32-2/h4-11,20-21,27,29H,12-15H2,1-3H3,(H,25,28)/t20-,21?,24-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264931
PNG
(US9718792, 88)
Show SMILES C[C@@H](O)Cc1cc(F)c(c(F)c1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:20|
Show InChI InChI=1S/C23H26F2N2O6S/c1-13(28)8-14-9-18(24)21(19(25)10-14)16-6-4-15(5-7-16)20-11-17(33-27-20)12-23(2,22(29)26-30)34(3,31)32/h4-7,9-10,13,17,28,30H,8,11-12H2,1-3H3,(H,26,29)/t13-,17-,23-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264973
PNG
(US9718792, 104)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(c(F)c1)-c1ccc(CC#N)cc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C22H22FN3O5S/c1-22(21(27)25-28,32(2,29)30)13-17-12-20(26-31-17)16-7-8-18(19(23)11-16)15-5-3-14(4-6-15)9-10-24/h3-8,11,17,28H,9,12-13H2,1-2H3,(H,25,27)/t17-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264782
PNG
(US9718792, 32)
Show SMILES CCSc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:10|
Show InChI InChI=1S/C16H22N2O5S2/c1-4-24-13-7-5-11(6-8-13)14-9-12(23-18-14)10-16(2,15(19)17-20)25(3,21)22/h5-8,12,20H,4,9-10H2,1-3H3,(H,17,19)/t12-,16-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264842
PNG
(US9718792, 54)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)C#CC1CC(F)C1)(C(=O)NO)S(C)(=O)=O |r,wU:3.2,wD:1.0,c:5,(8.99,1.11,;7.5,.71,;6.17,-.06,;4.84,.71,;3.59,-.2,;2.34,.71,;2.82,2.17,;4.36,2.17,;.86,.31,;.46,-1.18,;-1.03,-1.58,;-2.12,-.49,;-1.72,1,;-.23,1.4,;-3.61,-.89,;-5.09,-1.29,;-6.58,-1.68,;-7.91,-.91,;-8.68,-2.25,;-10.17,-2.65,;-7.35,-3.02,;8.84,-.06,;10.17,.71,;8.84,-1.6,;10.17,-2.37,;7.5,2.25,;7.5,3.79,;5.96,2.25,;9.04,2.25,)|
Show InChI InChI=1S/C20H23FN2O5S/c1-20(19(24)22-25,29(2,26)27)12-17-11-18(23-28-17)15-7-5-13(6-8-15)3-4-14-9-16(21)10-14/h5-8,14,16-17,25H,9-12H2,1-2H3,(H,22,24)/t14?,16?,17-,20-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264940
PNG
(US9718792, 91)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccsc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C18H20N2O5S2/c1-18(17(21)19-22,27(2,23)24)10-15-9-16(20-25-15)13-5-3-12(4-6-13)14-7-8-26-11-14/h3-8,11,15,22H,9-10H2,1-2H3,(H,19,21)/t15-,18-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264964
PNG
(US9718792, 101)
Show SMILES CCc1ccc(cc1F)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:10|
Show InChI InChI=1S/C16H21FN2O5S/c1-4-10-5-6-11(7-13(10)17)14-8-12(24-19-14)9-16(2,15(20)18-21)25(3,22)23/h5-7,12,21H,4,8-9H2,1-3H3,(H,18,20)/t12-,16-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264987
PNG
(US9718792, 110)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc(cc1F)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:19|
Show InChI InChI=1S/C23H27FN2O6S/c1-22(2,28)16-8-5-14(6-9-16)18-10-7-15(11-19(18)24)20-12-17(32-26-20)13-23(3,21(27)25-29)33(4,30)31/h5-11,17,28-29H,12-13H2,1-4H3,(H,25,27)/t17-,23-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264990
PNG
(US9718792, 111)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccncc1C(F)(F)F)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C20H20F3N3O5S/c1-19(18(27)25-28,32(2,29)30)10-14-9-17(26-31-14)13-5-3-12(4-6-13)15-7-8-24-11-16(15)20(21,22)23/h3-8,11,14,28H,9-10H2,1-2H3,(H,25,27)/t14-,19-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM265023
PNG
(US9718792, 122)
Show SMILES C[C@@H](O)Cc1ccc(cc1)-c1c(F)cc(cc1F)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:20|
Show InChI InChI=1S/C23H26F2N2O6S/c1-13(28)8-14-4-6-15(7-5-14)21-18(24)9-16(10-19(21)25)20-11-17(33-27-20)12-23(2,22(29)26-30)34(3,31)32/h4-7,9-10,13,17,28,30H,8,11-12H2,1-3H3,(H,26,29)/t13-,17-,23-/m1/s1
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n/an/a<0.00100n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264758
PNG
(US9718792, 16-B)
Show SMILES CC#Cc1ccc(C2=NOC(CC(C)(C(=O)NO)S(C)(=O)=O)C2)c(F)c1 |t:7|
Show InChI InChI=1S/C17H19FN2O5S/c1-4-5-11-6-7-13(14(18)8-11)15-9-12(25-20-15)10-17(2,16(21)19-22)26(3,23)24/h6-8,12,22H,9-10H2,1-3H3,(H,19,21)
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264761
PNG
(US9718792, 17-B)
Show SMILES CC(CC1CC(=NO1)c1ccc(cc1F)C#CC1CC1)(C(=O)NO)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C19H21FN2O5S/c1-19(18(23)21-24,28(2,25)26)11-14-10-17(22-27-14)15-8-7-13(9-16(15)20)6-5-12-3-4-12/h7-9,12,14,24H,3-4,10-11H2,1-2H3,(H,21,23)
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264776
PNG
(US9718792, 30)
Show SMILES CC(O)C#CC#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:14|
Show InChI InChI=1S/C20H22N2O6S/c1-14(23)6-4-5-7-15-8-10-16(11-9-15)18-12-17(28-22-18)13-20(2,19(24)21-25)29(3,26)27/h8-11,14,17,23,25H,12-13H2,1-3H3,(H,21,24)/t14?,17-,20-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264779
PNG
(US9718792, 31)
Show SMILES CCc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:9|
Show InChI InChI=1S/C16H22N2O5S/c1-4-11-5-7-12(8-6-11)14-9-13(23-18-14)10-16(2,15(19)17-20)24(3,21)22/h5-8,13,20H,4,9-10H2,1-3H3,(H,17,19)/t13-,16-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264824
PNG
(US9718792, 48)
Show SMILES COCCOc1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:19|
Show InChI InChI=1S/C23H28N2O7S/c1-23(22(26)24-27,33(3,28)29)15-20-14-21(25-32-20)18-6-4-16(5-7-18)17-8-10-19(11-9-17)31-13-12-30-2/h4-11,20,27H,12-15H2,1-3H3,(H,24,26)/t20-,23-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264833
PNG
(US9718792, 51)
Show SMILES COCC(C)(O)c1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:20|
Show InChI InChI=1S/C24H30N2O7S/c1-23(28,15-32-3)19-11-9-17(10-12-19)16-5-7-18(8-6-16)21-13-20(33-26-21)14-24(2,22(27)25-29)34(4,30)31/h5-12,20,28-29H,13-15H2,1-4H3,(H,25,27)/t20-,23?,24-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264877
PNG
(US9718792, 67)
Show SMILES Cc1ccc(cn1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:15|
Show InChI InChI=1S/C20H23N3O5S/c1-13-4-5-16(12-21-13)14-6-8-15(9-7-14)18-10-17(28-23-18)11-20(2,19(24)22-25)29(3,26)27/h4-9,12,17,25H,10-11H2,1-3H3,(H,22,24)/t17-,20-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264975
PNG
(US9718792, 105)
Show SMILES COc1ccc(cn1)-c1ccc(cc1F)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:17|
Show InChI InChI=1S/C20H22FN3O6S/c1-20(19(25)23-26,31(3,27)28)10-14-9-17(24-30-14)12-4-6-15(16(21)8-12)13-5-7-18(29-2)22-11-13/h4-8,11,14,26H,9-10H2,1-3H3,(H,23,25)/t14-,20-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264996
PNG
(US9718792, 113)
Show SMILES COc1ccc(c(C)c1)-c1ccc(cc1F)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:18|
Show InChI InChI=1S/C22H25FN2O6S/c1-13-9-15(30-3)6-8-17(13)18-7-5-14(10-19(18)23)20-11-16(31-25-20)12-22(2,21(26)24-27)32(4,28)29/h5-10,16,27H,11-12H2,1-4H3,(H,24,26)/t16-,22-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM265002
PNG
(US9718792, 115)
Show SMILES C[C@@H](O)Cc1ccc(c(F)c1)-c1ccc(cc1F)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:20|
Show InChI InChI=1S/C23H26F2N2O6S/c1-13(28)8-14-4-6-17(19(24)9-14)18-7-5-15(10-20(18)25)21-11-16(33-27-21)12-23(2,22(29)26-30)34(3,31)32/h4-7,9-10,13,16,28,30H,8,11-12H2,1-3H3,(H,26,29)/t13-,16-,23-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264723
PNG
(US9718792, 2-A)
Show SMILES CC#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:10|
Show InChI InChI=1S/C17H20N2O5S/c1-4-5-12-6-8-13(9-7-12)15-10-14(24-19-15)11-17(2,16(20)18-21)25(3,22)23/h6-9,14,21H,10-11H2,1-3H3,(H,18,20)/t14-,17-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264800
PNG
(US9718792, 41)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(CO)cc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C21H24N2O6S/c1-21(20(25)22-26,30(2,27)28)12-18-11-19(23-29-18)17-9-7-16(8-10-17)15-5-3-14(13-24)4-6-15/h3-10,18,24,26H,11-13H2,1-2H3,(H,22,25)/t18-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264815
PNG
(US9718792, 46)
Show SMILES C[C@H](O)Cc1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:18|
Show InChI InChI=1S/C23H28N2O6S/c1-15(26)12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)21-13-20(31-25-21)14-23(2,22(27)24-28)32(3,29)30/h4-11,15,20,26,28H,12-14H2,1-3H3,(H,24,27)/t15-,20+,23+/m0/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264845
PNG
(US9718792, 55)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)C#CC1CC(CC#N)C1)(C(=O)NO)S(C)(=O)=O |r,wU:3.2,wD:1.0,c:5,(9.39,2.02,;7.9,1.62,;6.57,.85,;5.24,1.62,;3.99,.72,;2.74,1.62,;3.22,3.09,;4.76,3.09,;1.26,1.23,;.86,-.26,;-.63,-.66,;-1.72,.43,;-1.32,1.92,;.17,2.31,;-3.21,.03,;-4.69,-.37,;-6.18,-.77,;-7.52,0,;-8.29,-1.33,;-9.77,-1.73,;-10.17,-3.22,;-11.66,-3.62,;-6.95,-2.1,;9.24,.85,;10.57,1.62,;9.24,-.69,;10.57,-1.46,;7.9,3.16,;7.9,4.7,;6.36,3.16,;9.44,3.16,)|
Show InChI InChI=1S/C22H25N3O5S/c1-22(21(26)24-27,31(2,28)29)14-19-13-20(25-30-19)18-7-5-15(6-8-18)3-4-16-11-17(12-16)9-10-23/h5-8,16-17,19,27H,9,11-14H2,1-2H3,(H,24,26)/t16?,17?,19-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264848
PNG
(US9718792, 56)
Show SMILES C[C@H](O)c1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:17|
Show InChI InChI=1S/C22H26N2O6S/c1-14(25)15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-12-19(30-24-20)13-22(2,21(26)23-27)31(3,28)29/h4-11,14,19,25,27H,12-13H2,1-3H3,(H,23,26)/t14-,19+,22+/m0/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264869
PNG
(US9718792, 64)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(nc1)C(F)(F)F)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C20H20F3N3O5S/c1-19(18(27)25-28,32(2,29)30)10-15-9-16(26-31-15)13-5-3-12(4-6-13)14-7-8-17(24-11-14)20(21,22)23/h3-8,11,15,28H,9-10H2,1-2H3,(H,25,27)/t15-,19-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264875
PNG
(US9718792, 66)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:16|
Show InChI InChI=1S/C20H23N3O6S/c1-20(19(24)22-25,30(3,26)27)11-16-10-17(23-29-16)14-6-4-13(5-7-14)15-8-9-18(28-2)21-12-15/h4-9,12,16,25H,10-11H2,1-3H3,(H,22,24)/t16-,20-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264907
PNG
(US9718792, 79)
Show SMILES COc1cc(F)c(c(F)c1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:18|
Show InChI InChI=1S/C21H22F2N2O6S/c1-21(20(26)24-27,32(3,28)29)11-15-10-18(25-31-15)12-4-6-13(7-5-12)19-16(22)8-14(30-2)9-17(19)23/h4-9,15,27H,10-11H2,1-3H3,(H,24,26)/t15-,21-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264913
PNG
(US9718792, 82)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccncc1Cl)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C19H20ClN3O5S/c1-19(18(24)22-25,29(2,26)27)10-14-9-17(23-28-14)13-5-3-12(4-6-13)15-7-8-21-11-16(15)20/h3-8,11,14,25H,9-10H2,1-2H3,(H,22,24)/t14-,19-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264943
PNG
(US9718792, 92)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1cnsc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C17H19N3O5S2/c1-17(16(21)19-22,27(2,23)24)8-14-7-15(20-25-14)12-5-3-11(4-6-12)13-9-18-26-10-13/h3-6,9-10,14,22H,7-8H2,1-2H3,(H,19,21)/t14-,17-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264949
PNG
(US9718792, 94)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(cc1)[C@H](O)CO)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C22H26N2O7S/c1-22(21(27)23-28,32(2,29)30)12-18-11-19(24-31-18)16-7-3-14(4-8-16)15-5-9-17(10-6-15)20(26)13-25/h3-10,18,20,25-26,28H,11-13H2,1-2H3,(H,23,27)/t18-,20-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM265005
PNG
(US9718792, 116)
Show SMILES C[C@@H](O)Cc1cc(F)c(c(F)c1)-c1ccc(cc1F)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,wU:22.24,1.1,wD:24.26,t:21,(-9.61,-4.77,;-8.28,-4,;-8.28,-2.46,;-6.95,-4.77,;-5.61,-4,;-4.28,-4.77,;-2.95,-4,;-1.61,-4.77,;-2.95,-2.46,;-4.28,-1.69,;-4.28,-.15,;-5.61,-2.46,;-1.61,-1.69,;-1.61,-.15,;-.28,.62,;1.06,-.15,;1.06,-1.69,;-.28,-2.46,;-.28,-4,;2.39,.62,;2.87,2.08,;4.41,2.08,;4.88,.62,;6.42,.62,;7.19,1.95,;8.28,3.04,;8.28,.86,;9.61,1.63,;7.51,-.47,;8.28,-1.81,;6.42,3.28,;7.91,3.68,;6.82,4.77,;4.93,3.68,;3.64,-.29,)|
Show InChI InChI=1S/C23H25F3N2O6S/c1-12(29)6-13-7-18(25)21(19(26)8-13)16-5-4-14(9-17(16)24)20-10-15(34-28-20)11-23(2,22(30)27-31)35(3,32)33/h4-5,7-9,12,15,29,31H,6,10-11H2,1-3H3,(H,27,30)/t12-,15-,23-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM265020
PNG
(US9718792, 121)
Show SMILES C[C@@H](O)Cc1ccc(cc1)-c1ccc(cc1C)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:19|
Show InChI InChI=1S/C24H30N2O6S/c1-15-11-19(9-10-21(15)18-7-5-17(6-8-18)12-16(2)27)22-13-20(32-26-22)14-24(3,23(28)25-29)33(4,30)31/h5-11,16,20,27,29H,12-14H2,1-4H3,(H,25,28)/t16-,20-,24-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264791
PNG
(US9718792, 39A)
Show SMILES [H][C@@]1(C[C@@]([H])(C1)C(C)(C)O)C#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,wU:21.23,3.3,wD:23.25,1.0,t:20,(-5.07,.39,;-5.84,1.72,;-6.93,.63,;-8.02,1.72,;-8.79,3.05,;-6.93,2.81,;-9.56,1.72,;-10.33,.39,;-10.33,3.05,;-11.1,1.72,;-4.3,1.72,;-2.76,1.72,;-1.22,1.72,;-.45,3.05,;1.09,3.05,;1.86,1.72,;1.09,.39,;-.45,.39,;3.4,1.72,;4.3,2.96,;5.77,2.49,;5.77,.95,;7.1,.18,;8.43,.95,;7.66,2.28,;9.2,-.39,;10.74,-.39,;8.43,-1.72,;9.2,-3.05,;9.77,1.72,;10.54,.39,;9,3.05,;11.1,2.49,;4.3,.47,)|
Show InChI InChI=1S/C23H30N2O6S/c1-22(2,27)18-11-16(12-18)6-5-15-7-9-17(10-8-15)20-13-19(31-25-20)14-23(3,21(26)24-28)32(4,29)30/h7-10,16,18-19,27-28H,11-14H2,1-4H3,(H,24,26)/t16-,18-,19-,23-/m1/s1
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Novartis AG

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Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264803
PNG
(US9718792, 42)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccncc1F)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C19H20FN3O5S/c1-19(18(24)22-25,29(2,26)27)10-14-9-17(23-28-14)13-5-3-12(4-6-13)15-7-8-21-11-16(15)20/h3-8,11,14,25H,9-10H2,1-2H3,(H,22,24)/t14-,19-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264830
PNG
(US9718792, 50)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(OCCO)cc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C22H26N2O7S/c1-22(21(26)23-27,32(2,28)29)14-19-13-20(24-31-19)17-5-3-15(4-6-17)16-7-9-18(10-8-16)30-12-11-25/h3-10,19,25,27H,11-14H2,1-2H3,(H,23,26)/t19-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264836
PNG
(US9718792, 52 | US9718792, 53)
Show SMILES COCC1CC(C1)C#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,wU:18.20,20.23,wD:20.22,t:17,(-12.13,-1.96,;-10.64,-1.56,;-9.55,-2.65,;-8.06,-2.25,;-7.29,-.91,;-5.96,-1.68,;-6.73,-3.02,;-4.47,-1.29,;-2.98,-.89,;-1.5,-.49,;-.41,-1.58,;1.08,-1.18,;1.48,.31,;.39,1.4,;-1.1,1,;2.97,.71,;3.44,2.17,;4.98,2.17,;5.46,.71,;6.79,-.06,;8.13,.71,;9.46,1.48,;9.46,-.06,;9.46,-1.6,;10.79,.71,;12.13,-.06,;8.13,2.25,;8.13,3.79,;6.79,3.02,;9.46,3.02,;4.21,-.2,)|
Show InChI InChI=1S/C22H28N2O6S/c1-22(21(25)23-26,31(3,27)28)13-19-12-20(24-30-19)18-8-6-15(7-9-18)4-5-16-10-17(11-16)14-29-2/h6-9,16-17,19,26H,10-14H2,1-3H3,(H,23,25)/t16?,17?,19-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264898
PNG
(US9718792, 76)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(cc1)S(C)(=N)=O)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C21H25N3O6S2/c1-21(20(25)23-26,32(3,28)29)13-17-12-19(24-30-17)16-6-4-14(5-7-16)15-8-10-18(11-9-15)31(2,22)27/h4-11,17,22,26H,12-13H2,1-3H3,(H,23,25)/t17-,21-,31?/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264901
PNG
(US9718792, 77)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(cc1)-n1nccn1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C22H23N5O5S/c1-22(21(28)25-29,33(2,30)31)14-19-13-20(26-32-19)17-5-3-15(4-6-17)16-7-9-18(10-8-16)27-23-11-12-24-27/h3-12,19,29H,13-14H2,1-2H3,(H,25,28)/t19-,22-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264978
PNG
(US9718792, 107)
Show SMILES C[C@@H](O)Cc1ccc(cn1)-c1ccc(cc1F)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:19|
Show InChI InChI=1S/C22H26FN3O6S/c1-13(27)8-16-6-4-15(12-24-16)18-7-5-14(9-19(18)23)20-10-17(32-26-20)11-22(2,21(28)25-29)33(3,30)31/h4-7,9,12-13,17,27,29H,8,10-11H2,1-3H3,(H,25,28)/t13-,17-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM265014
PNG
(US9718792, 119)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1F)-c1ccncc1F)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C19H19F2N3O5S/c1-19(18(25)23-26,30(2,27)28)9-12-8-17(24-29-12)14-4-3-11(7-15(14)20)13-5-6-22-10-16(13)21/h3-7,10,12,26H,8-9H2,1-2H3,(H,23,25)/t12-,19-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM265026
PNG
(US9718792, 123)
Show SMILES [H][C@]1(C[C@](C)(C(=O)NO)S(C)(=O)=O)CC(=NO1)c1ccc(cc1F)C#CC |r,c:14|
Show InChI InChI=1S/C17H19FN2O5S/c1-4-5-11-6-7-13(14(18)8-11)15-9-12(25-20-15)10-17(2,16(21)19-22)26(3,23)24/h6-8,12,22H,9-10H2,1-3H3,(H,19,21)/t12-,17-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264818
PNG
(US9718792, 47)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(CN2CCOCC2)cc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C25H31N3O6S/c1-25(24(29)26-30,35(2,31)32)16-22-15-23(27-34-22)21-9-7-20(8-10-21)19-5-3-18(4-6-19)17-28-11-13-33-14-12-28/h3-10,22,30H,11-17H2,1-2H3,(H,26,29)/t22-,25-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264851
PNG
(US9718792, 57)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1cccc(CO)c1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C21H24N2O6S/c1-21(20(25)22-26,30(2,27)28)12-18-11-19(23-29-18)16-8-6-15(7-9-16)17-5-3-4-14(10-17)13-24/h3-10,18,24,26H,11-13H2,1-2H3,(H,22,25)/t18-,21-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264854
PNG
(US9718792, 58)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C21H24N2O7S2/c1-21(20(24)22-25,32(3,28)29)13-17-12-19(23-30-17)16-6-4-14(5-7-16)15-8-10-18(11-9-15)31(2,26)27/h4-11,17,25H,12-13H2,1-3H3,(H,22,24)/t17-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264866
PNG
(US9718792, 62)
Show SMILES CCC#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:11|
Show InChI InChI=1S/C18H22N2O5S/c1-4-5-6-13-7-9-14(10-8-13)16-11-15(25-20-16)12-18(2,17(21)19-22)26(3,23)24/h7-10,15,22H,4,11-12H2,1-3H3,(H,19,21)/t15-,18-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264883
PNG
(US9718792, 69)
Show SMILES CC(C)(C#N)c1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:19|
Show InChI InChI=1S/C24H27N3O5S/c1-23(2,15-25)19-11-9-17(10-12-19)16-5-7-18(8-6-16)21-13-20(32-27-21)14-24(3,22(28)26-29)33(4,30)31/h5-12,20,29H,13-14H2,1-4H3,(H,26,28)/t20-,24-/m1/s1
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n/an/a<0.00100n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264895
PNG
(US9718792, 75)
Show SMILES COC(CO)c1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:19|
Show InChI InChI=1S/C23H28N2O7S/c1-23(22(27)24-28,33(3,29)30)13-19-12-20(25-32-19)17-8-4-15(5-9-17)16-6-10-18(11-7-16)21(14-26)31-2/h4-11,19,21,26,28H,12-14H2,1-3H3,(H,24,27)/t19-,21?,23-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264928
PNG
(US9718792, 87)
Show SMILES Cc1cc(CO)ccc1-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:17|
Show InChI InChI=1S/C22H26N2O6S/c1-14-10-15(13-25)4-9-19(14)16-5-7-17(8-6-16)20-11-18(30-24-20)12-22(2,21(26)23-27)31(3,28)29/h4-10,18,25,27H,11-13H2,1-3H3,(H,23,26)/t18-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264934
PNG
(US9718792, 89)
Show SMILES C[C@@H](O)Cc1ccc(c(F)c1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:19|
Show InChI InChI=1S/C23H27FN2O6S/c1-14(27)10-15-4-9-19(20(24)11-15)16-5-7-17(8-6-16)21-12-18(32-26-21)13-23(2,22(28)25-29)33(3,30)31/h4-9,11,14,18,27,29H,10,12-13H2,1-3H3,(H,25,28)/t14-,18-,23-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264937
PNG
(US9718792, 90)
Show SMILES C[C@@H](O)Cc1ccc(c(C)c1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:19|
Show InChI InChI=1S/C24H30N2O6S/c1-15-11-17(12-16(2)27)5-10-21(15)18-6-8-19(9-7-18)22-13-20(32-26-22)14-24(3,23(28)25-29)33(4,30)31/h5-11,16,20,27,29H,12-14H2,1-4H3,(H,25,28)/t16-,20-,24-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264958
PNG
(US9718792, 98)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)C#CC1CCOCC1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C21H26N2O6S/c1-21(20(24)22-25,30(2,26)27)14-18-13-19(23-29-18)17-7-5-15(6-8-17)3-4-16-9-11-28-12-10-16/h5-8,16,18,25H,9-14H2,1-2H3,(H,22,24)/t18-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264999
PNG
(US9718792, 114)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(c(F)c1)-c1ccc(cc1)-c1nn[nH]n1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C21H21FN6O5S/c1-21(20(29)25-30,34(2,31)32)11-15-10-18(26-33-15)14-7-8-16(17(22)9-14)12-3-5-13(6-4-12)19-23-27-28-24-19/h3-9,15,30H,10-11H2,1-2H3,(H,25,29)(H,23,24,27,28)/t15-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264720
PNG
(US9718792, 1-B)
Show SMILES CC(CC1CC(=NO1)c1ccc(Br)cc1)(C(=O)NO)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C14H17BrN2O5S/c1-14(13(18)16-19,23(2,20)21)8-11-7-12(17-22-11)9-3-5-10(15)6-4-9/h3-6,11,19H,7-8H2,1-2H3,(H,16,18)
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264740
PNG
(US9718792, 8-B)
Show SMILES CCC#Cc1ccc(cc1)C1=NOC(CC(C)(C(=O)NO)S(C)(=O)=O)C1 |t:11|
Show InChI InChI=1S/C18H22N2O5S/c1-4-5-6-13-7-9-14(10-8-13)16-11-15(25-20-16)12-18(2,17(21)19-22)26(3,23)24/h7-10,15,22H,4,11-12H2,1-3H3,(H,19,21)
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264764
PNG
(US9718792, 22)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)C#CCCF)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C18H21FN2O5S/c1-18(17(22)20-23,27(2,24)25)12-15-11-16(21-26-15)14-8-6-13(7-9-14)5-3-4-10-19/h6-9,15,23H,4,10-12H2,1-2H3,(H,20,22)/t15-,18-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264812
PNG
(US9718792, 45)
Show SMILES C[C@@H](O)Cc1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:18|
Show InChI InChI=1S/C23H28N2O6S/c1-15(26)12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)21-13-20(31-25-21)14-23(2,22(27)24-28)32(3,29)30/h4-11,15,20,26,28H,12-14H2,1-3H3,(H,24,27)/t15-,20-,23-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264919
PNG
(US9718792, 84)
Show SMILES CC(C)(O)c1ccc(cn1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:18|
Show InChI InChI=1S/C22H27N3O6S/c1-21(2,27)19-10-9-16(13-23-19)14-5-7-15(8-6-14)18-11-17(31-25-18)12-22(3,20(26)24-28)32(4,29)30/h5-10,13,17,27-28H,11-12H2,1-4H3,(H,24,26)/t17-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264904
PNG
(US9718792, 78 | US9718792, 85)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccncc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C19H21N3O5S/c1-19(18(23)21-24,28(2,25)26)12-16-11-17(22-27-16)15-5-3-13(4-6-15)14-7-9-20-10-8-14/h3-10,16,24H,11-12H2,1-2H3,(H,21,23)/t16-,19-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264946
PNG
(US9718792, 93)
Show SMILES C[C@@H](O)[C@@H](O)Cc1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:20|
Show InChI InChI=1S/C24H30N2O7S/c1-15(27)22(28)12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)21-13-20(33-26-21)14-24(2,23(29)25-30)34(3,31)32/h4-11,15,20,22,27-28,30H,12-14H2,1-3H3,(H,25,29)/t15-,20-,22+,24-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264967
PNG
(US9718792, 102)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(c(F)c1)-c1ccc(CCO)cc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C22H25FN2O6S/c1-22(21(27)24-28,32(2,29)30)13-17-12-20(25-31-17)16-7-8-18(19(23)11-16)15-5-3-14(4-6-15)9-10-26/h3-8,11,17,26,28H,9-10,12-13H2,1-2H3,(H,24,27)/t17-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264970
PNG
(US9718792, 103)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(c(F)c1)-c1ccc(CO)cc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C21H23FN2O6S/c1-21(20(26)23-27,31(2,28)29)11-16-10-19(24-30-16)15-7-8-17(18(22)9-15)14-5-3-13(12-25)4-6-14/h3-9,16,25,27H,10-12H2,1-2H3,(H,23,26)/t16-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264993
PNG
(US9718792, 112)
Show SMILES CC(C)c1cc(ccn1)-c1ccc(cc1F)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:18|
Show InChI InChI=1S/C22H26FN3O5S/c1-13(2)19-10-14(7-8-24-19)17-6-5-15(9-18(17)23)20-11-16(31-26-20)12-22(3,21(27)25-28)32(4,29)30/h5-10,13,16,28H,11-12H2,1-4H3,(H,25,27)/t16-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM265017
PNG
(US9718792, 120)
Show SMILES CCc1ccc(C2=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C2)c(F)c1 |r,t:6|
Show InChI InChI=1S/C16H21FN2O5S/c1-4-10-5-6-12(13(17)7-10)14-8-11(24-19-14)9-16(2,15(20)18-21)25(3,22)23/h5-7,11,21H,4,8-9H2,1-3H3,(H,18,20)/t11-,16-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264737
PNG
(US9718792, 6-A)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)C#CC1CC1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C19H22N2O5S/c1-19(18(22)20-23,27(2,24)25)12-16-11-17(21-26-16)15-9-7-14(8-10-15)6-5-13-3-4-13/h7-10,13,16,23H,3-4,11-12H2,1-2H3,(H,20,22)/t16-,19-/m1/s1
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n/an/a 0.00100n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264743
PNG
(US9718792, 10-B)
Show SMILES CC(CC1CC(=NO1)c1ccc(cc1)C#CCCO)(C(=O)NO)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C18H22N2O6S/c1-18(17(22)19-23,27(2,24)25)12-15-11-16(20-26-15)14-8-6-13(7-9-14)5-3-4-10-21/h6-9,15,21,23H,4,10-12H2,1-2H3,(H,19,22)
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n/an/a<0.00100n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264767
PNG
(US9718792, 23)
Show SMILES CCCc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:10|
Show InChI InChI=1S/C17H24N2O5S/c1-4-5-12-6-8-13(9-7-12)15-10-14(24-19-15)11-17(2,16(20)18-21)25(3,22)23/h6-9,14,21H,4-5,10-11H2,1-3H3,(H,18,20)/t14-,17-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264770
PNG
(US9718792, 24)
Show SMILES C\C=C\c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:10|
Show InChI InChI=1S/C17H22N2O5S/c1-4-5-12-6-8-13(9-7-12)15-10-14(24-19-15)11-17(2,16(20)18-21)25(3,22)23/h4-9,14,21H,10-11H2,1-3H3,(H,18,20)/b5-4+/t14-,17-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264797
PNG
(US9718792, 40)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(CCO)cc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C22H26N2O6S/c1-22(21(26)23-27,31(2,28)29)14-19-13-20(24-30-19)18-9-7-17(8-10-18)16-5-3-15(4-6-16)11-12-25/h3-10,19,25,27H,11-14H2,1-2H3,(H,23,26)/t19-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264809
PNG
(US9718792, 44)
Show SMILES COC1CC(C1)C#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,wU:17.19,wD:19.21,t:16,(-9.91,-4.86,;-8.57,-5.63,;-7.24,-4.86,;-6.84,-3.37,;-5.35,-3.77,;-5.75,-5.25,;-4.02,-3,;-2.69,-2.23,;-1.35,-1.46,;-1.35,.08,;-.02,.85,;1.32,.08,;1.32,-1.46,;-.02,-2.23,;2.65,.85,;2.65,2.39,;4.11,2.87,;5.02,1.62,;6.56,1.62,;7.33,2.96,;6,3.73,;8.42,1.87,;9.91,2.27,;8.02,.38,;9.11,-.71,;8.1,4.29,;9.43,3.52,;6.77,5.06,;8.87,5.63,;4.11,.38,)|
Show InChI InChI=1S/C21H26N2O6S/c1-21(20(24)22-25,30(3,26)27)13-18-12-19(23-29-18)16-8-6-14(7-9-16)4-5-15-10-17(11-15)28-2/h6-9,15,17-18,25H,10-13H2,1-3H3,(H,22,24)/t15?,17?,18-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264827
PNG
(US9718792, 49)
Show SMILES C[C@@H](O)c1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:17|
Show InChI InChI=1S/C22H26N2O6S/c1-14(25)15-4-6-16(7-5-15)17-8-10-18(11-9-17)20-12-19(30-24-20)13-22(2,21(26)23-27)31(3,28)29/h4-11,14,19,25,27H,12-13H2,1-3H3,(H,23,26)/t14-,19-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264836
PNG
(US9718792, 52 | US9718792, 53)
Show SMILES COCC1CC(C1)C#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,wU:18.20,20.23,wD:20.22,t:17,(-12.13,-1.96,;-10.64,-1.56,;-9.55,-2.65,;-8.06,-2.25,;-7.29,-.91,;-5.96,-1.68,;-6.73,-3.02,;-4.47,-1.29,;-2.98,-.89,;-1.5,-.49,;-.41,-1.58,;1.08,-1.18,;1.48,.31,;.39,1.4,;-1.1,1,;2.97,.71,;3.44,2.17,;4.98,2.17,;5.46,.71,;6.79,-.06,;8.13,.71,;9.46,1.48,;9.46,-.06,;9.46,-1.6,;10.79,.71,;12.13,-.06,;8.13,2.25,;8.13,3.79,;6.79,3.02,;9.46,3.02,;4.21,-.2,)|
Show InChI InChI=1S/C22H28N2O6S/c1-22(21(25)23-26,31(3,27)28)13-19-12-20(24-30-19)18-8-6-15(7-9-18)4-5-16-10-17(11-16)14-29-2/h6-9,16-17,19,26H,10-14H2,1-3H3,(H,23,25)/t16?,17?,19-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264857
PNG
(US9718792, 59)
Show SMILES COc1ccc(c(F)c1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:17|
Show InChI InChI=1S/C21H23FN2O6S/c1-21(20(25)23-26,31(3,27)28)12-16-11-19(24-30-16)14-6-4-13(5-7-14)17-9-8-15(29-2)10-18(17)22/h4-10,16,26H,11-12H2,1-3H3,(H,23,25)/t16-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264892
PNG
(US9718792, 74)
Show SMILES CS(=O)c1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:17|
Show InChI InChI=1S/C21H24N2O6S2/c1-21(20(24)22-25,31(3,27)28)13-17-12-19(23-29-17)16-6-4-14(5-7-16)15-8-10-18(11-9-15)30(2)26/h4-11,17,25H,12-13H2,1-3H3,(H,22,24)/t17-,21-,30?/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264916
PNG
(US9718792, 83)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1cnccc1F)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C19H20FN3O5S/c1-19(18(24)22-25,29(2,26)27)10-14-9-17(23-28-14)13-5-3-12(4-6-13)15-11-21-8-7-16(15)20/h3-8,11,14,25H,9-10H2,1-2H3,(H,22,24)/t14-,19-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264955
PNG
(US9718792, 96)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(cc1)C(O)CCO)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C23H28N2O7S/c1-23(22(28)24-29,33(2,30)31)14-19-13-20(25-32-19)17-7-3-15(4-8-17)16-5-9-18(10-6-16)21(27)11-12-26/h3-10,19,21,26-27,29H,11-14H2,1-2H3,(H,24,28)/t19-,21?,23-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264961
PNG
(US9718792, 100)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1c(F)cncc1F)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C19H19F2N3O5S/c1-19(18(25)23-26,30(2,27)28)8-13-7-16(24-29-13)11-3-5-12(6-4-11)17-14(20)9-22-10-15(17)21/h3-6,9-10,13,26H,7-8H2,1-2H3,(H,23,25)/t13-,19-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM265008
PNG
(US9718792, 117)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(c(F)c1)-c1ccncc1F)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C19H19F2N3O5S/c1-19(18(25)23-26,30(2,27)28)9-12-8-17(24-29-12)11-3-4-13(15(20)7-11)14-5-6-22-10-16(14)21/h3-7,10,12,26H,8-9H2,1-2H3,(H,23,25)/t12-,19-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264746
PNG
(US9718792, 12-B)
Show SMILES CC#Cc1ccc(cc1F)C1=NOC(CC(C)(C(=O)NO)S(C)(=O)=O)C1 |t:11|
Show InChI InChI=1S/C17H19FN2O5S/c1-4-5-11-6-7-12(8-14(11)18)15-9-13(25-20-15)10-17(2,16(21)19-22)26(3,23)24/h6-8,13,22H,9-10H2,1-3H3,(H,19,21)
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264981
PNG
(US9718792, 108)
Show SMILES Cn1ccc(cc1=O)-c1ccc(cc1F)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:17|
Show InChI InChI=1S/C20H22FN3O6S/c1-20(19(26)22-27,31(3,28)29)11-14-10-17(23-30-14)13-4-5-15(16(21)8-13)12-6-7-24(2)18(25)9-12/h4-9,14,27H,10-11H2,1-3H3,(H,22,26)/t14-,20-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264886
PNG
(US9718792, 70)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccnc(c1)C(F)(F)F)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C20H20F3N3O5S/c1-19(18(27)25-28,32(2,29)30)11-15-10-16(26-31-15)13-5-3-12(4-6-13)14-7-8-24-17(9-14)20(21,22)23/h3-9,15,28H,10-11H2,1-2H3,(H,25,27)/t15-,19-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264794
PNG
(US9718792, 39B)
Show SMILES [H][C@@]1(C[C@]([H])(C1)C(C)(C)O)C#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,wU:21.23,wD:23.25,3.3,1.0,t:20,(-5.07,.39,;-5.84,1.72,;-6.93,.63,;-8.02,1.72,;-8.79,3.05,;-6.93,2.81,;-9.56,1.72,;-10.33,.39,;-10.33,3.05,;-11.1,1.72,;-4.3,1.72,;-2.76,1.72,;-1.22,1.72,;-.45,3.05,;1.09,3.05,;1.86,1.72,;1.09,.39,;-.45,.39,;3.4,1.72,;4.3,2.96,;5.77,2.49,;5.77,.95,;7.1,.18,;8.43,.95,;7.66,2.28,;9.2,-.39,;10.74,-.39,;8.43,-1.72,;9.2,-3.05,;9.77,1.72,;10.54,.39,;9,3.05,;11.1,2.49,;4.3,.47,)|
Show InChI InChI=1S/C23H30N2O6S/c1-22(2,27)18-11-16(12-18)6-5-15-7-9-17(10-8-15)20-13-19(31-25-20)14-23(3,21(26)24-28)32(4,29)30/h7-10,16,18-19,27-28H,11-14H2,1-4H3,(H,24,26)/t16-,18+,19-,23-/m1/s1
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US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264785
PNG
(US9718792, 33)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(CCCF)cc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C17H23FN2O5S/c1-17(16(21)19-22,26(2,23)24)11-14-10-15(20-25-14)13-7-5-12(6-8-13)4-3-9-18/h5-8,14,22H,3-4,9-11H2,1-2H3,(H,19,21)/t14-,17-/m1/s1
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n/an/a 0.00200n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264788
PNG
(US9718792, 34)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(CCCCF)cc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C18H25FN2O5S/c1-18(17(22)20-23,27(2,24)25)12-15-11-16(21-26-15)14-8-6-13(7-9-14)5-3-4-10-19/h6-9,15,23H,3-5,10-12H2,1-2H3,(H,20,22)/t15-,18-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264880
PNG
(US9718792, 68)
Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:16|
Show InChI InChI=1S/C20H23N3O6S/c1-20(19(25)21-26,30(3,27)28)11-16-10-17(22-29-16)14-6-4-13(5-7-14)15-8-9-18(24)23(2)12-15/h4-9,12,16,26H,10-11H2,1-3H3,(H,21,25)/t16-,20-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264910
PNG
(US9718792, 81)
Show SMILES CC(C)(O)c1cc(ccn1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:18|
Show InChI InChI=1S/C22H27N3O6S/c1-21(2,27)19-11-16(9-10-23-19)14-5-7-15(8-6-14)18-12-17(31-25-18)13-22(3,20(26)24-28)32(4,29)30/h5-11,17,27-28H,12-13H2,1-4H3,(H,24,26)/t17-,22-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264755
PNG
(US9718792, 15-B)
Show SMILES CC(CC1CC(=NO1)c1ccc(cn1)C#CC1CC1)(C(=O)NO)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C18H21N3O5S/c1-18(17(22)20-23,27(2,24)25)10-14-9-16(21-26-14)15-8-7-13(11-19-15)6-5-12-3-4-12/h7-8,11-12,14,23H,3-4,9-10H2,1-2H3,(H,20,22)
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM265011
PNG
(US9718792, 118)
Show SMILES Cc1cc(cc(C)n1)-c1ccc(cc1F)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:17|
Show InChI InChI=1S/C21H24FN3O5S/c1-12-7-15(8-13(2)23-12)17-6-5-14(9-18(17)22)19-10-16(30-25-19)11-21(3,20(26)24-27)31(4,28)29/h5-9,16,27H,10-11H2,1-4H3,(H,24,26)/t16-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264806
PNG
(US9718792, 43)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-n1nccn1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C16H19N5O5S/c1-16(15(22)19-23,27(2,24)25)10-13-9-14(20-26-13)11-3-5-12(6-4-11)21-17-7-8-18-21/h3-8,13,23H,9-10H2,1-2H3,(H,19,22)/t13-,16-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264984
PNG
(US9718792, 109)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(c(F)c1)-c1ccc(CO)nc1)(C(=O)NO)S(C)(=O)=O |r,c:5|
Show InChI InChI=1S/C20H22FN3O6S/c1-20(19(26)23-27,31(2,28)29)9-15-8-18(24-30-15)12-4-6-16(17(21)7-12)13-3-5-14(11-25)22-10-13/h3-7,10,15,25,27H,8-9,11H2,1-2H3,(H,23,26)/t15-,20-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264889
PNG
(US9718792, 71)
Show SMILES CCc1cc(ccn1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:16|
Show InChI InChI=1S/C21H25N3O5S/c1-4-17-11-16(9-10-22-17)14-5-7-15(8-6-14)19-12-18(29-24-19)13-21(2,20(25)23-26)30(3,27)28/h5-11,18,26H,4,12-13H2,1-3H3,(H,23,25)/t18-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264734
PNG
(US9718792, 5-A)
Show SMILES CC(CC1CC(=NO1)c1ccc(cc1)C1CC1)(C(=O)NO)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C17H22N2O5S/c1-17(16(20)18-21,25(2,22)23)10-14-9-15(19-24-14)13-7-5-12(6-8-13)11-3-4-11/h5-8,11,14,21H,3-4,9-10H2,1-2H3,(H,18,20)
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264752
PNG
(US9718792, 14-B)
Show SMILES CC#Cc1ccc(nc1)C1=NOC(CC(C)(C(=O)NO)S(C)(=O)=O)C1 |t:10|
Show InChI InChI=1S/C16H19N3O5S/c1-4-5-11-6-7-13(17-10-11)14-8-12(24-19-14)9-16(2,15(20)18-21)25(3,22)23/h6-7,10,12,21H,8-9H2,1-3H3,(H,18,20)
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM264731
PNG
(US9718792, 4-B)
Show SMILES CC#CCOc1ccc(cc1)C1=NOC(CC(C)(C(=O)NO)S(C)(=O)=O)C1 |t:12|
Show InChI InChI=1S/C18H22N2O6S/c1-4-5-10-25-14-8-6-13(7-9-14)16-11-15(26-20-16)12-18(2,17(21)19-22)27(3,23)24/h6-9,15,22H,10-12H2,1-3H3,(H,19,21)
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Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%