Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Gcn5-related N-acetyltransferases (GNAT) superfamily protein PA4794 (PA4794)'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
N-acetyltransferase domain-containing protein (Pseudomonas aeruginosa)	BDBM213237 (4-Methylumbelliferyl phosphate) Show SMILES Cc1cc(=O)oc2cc(OP([O-])([O-])=O)ccc12 Show InChI InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)/p-2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.65E+5	n/a	n/a	n/a	7.5	25
University of Virginia					Assay Description Isothermal titration calorimetry (ITC) measurements were performed at 25 °C using an iTC200 calorimeter (MicroCal). Preparations of purified pr...				J Biol Chem 288: 30223-35 (2013) Article DOI: 10.1074/jbc.M113.501353 BindingDB Entry DOI: 10.7270/Q22N514W
					More data for this Ligand-Target Pair
N-acetyltransferase domain-containing protein (Pseudomonas aeruginosa)	BDBM50335523 ((6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-y...) Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:16| Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	7.5	25
University of Virginia					Assay Description Isothermal titration calorimetry (ITC) measurements were performed at 25 °C using an iTC200 calorimeter (MicroCal). Preparations of purified pr...				J Biol Chem 288: 30223-35 (2013) Article DOI: 10.1074/jbc.M113.501353 BindingDB Entry DOI: 10.7270/Q22N514W
					More data for this Ligand-Target Pair
N-acetyltransferase domain-containing protein (Pseudomonas aeruginosa)	BDBM50335563 ((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...) Show SMILES CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O |r,c:21| Show InChI InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	4.93E+4	n/a	n/a	n/a	7.5	25
University of Virginia					Assay Description Isothermal titration calorimetry (ITC) measurements were performed at 25 °C using an iTC200 calorimeter (MicroCal). Preparations of purified pr...				J Biol Chem 288: 30223-35 (2013) Article DOI: 10.1074/jbc.M113.501353 BindingDB Entry DOI: 10.7270/Q22N514W
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acetyltransferase domain-containing protein (Pseudomonas aeruginosa)	BDBM213239 (CoA) Show SMILES CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS Show InChI InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/p-4/t11-,14-,15-,16+,20-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	7.5	25
University of Virginia					Assay Description Isothermal titration calorimetry (ITC) measurements were performed at 25 °C using an iTC200 calorimeter (MicroCal). Preparations of purified pr...				J Biol Chem 288: 30223-35 (2013) Article DOI: 10.1074/jbc.M113.501353 BindingDB Entry DOI: 10.7270/Q22N514W
					More data for this Ligand-Target Pair
N-acetyltransferase domain-containing protein (Pseudomonas aeruginosa)	BDBM50350472 (640/359 | Anaptivan | CEFUROXIME | Ceftin) Show SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.77E+5	n/a	n/a	n/a	7.5	25
University of Virginia					Assay Description Isothermal titration calorimetry (ITC) measurements were performed at 25 °C using an iTC200 calorimeter (MicroCal). Preparations of purified pr...				J Biol Chem 288: 30223-35 (2013) Article DOI: 10.1074/jbc.M113.501353 BindingDB Entry DOI: 10.7270/Q22N514W
					More data for this Ligand-Target Pair
N-acetyltransferase domain-containing protein (Pseudomonas aeruginosa)	BDBM213238 (AcCoA) Show SMILES CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	7.5	25
University of Virginia					Assay Description Isothermal titration calorimetry (ITC) measurements were performed at 25 °C using an iTC200 calorimeter (MicroCal). Preparations of purified pr...				J Biol Chem 288: 30223-35 (2013) Article DOI: 10.1074/jbc.M113.501353 BindingDB Entry DOI: 10.7270/Q22N514W
					More data for this Ligand-Target Pair
N-acetyltransferase domain-containing protein (Pseudomonas aeruginosa)	BDBM82898 ((6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)...) Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O |t:5| Show InChI InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.69E+4	n/a	n/a	n/a	7.5	25
University of Virginia					Assay Description Isothermal titration calorimetry (ITC) measurements were performed at 25 °C using an iTC200 calorimeter (MicroCal). Preparations of purified pr...				J Biol Chem 288: 30223-35 (2013) Article DOI: 10.1074/jbc.M113.501353 BindingDB Entry DOI: 10.7270/Q22N514W
					More data for this Ligand-Target Pair				3D Structure (crystal)