Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'cleary' and Initial = 'b'   

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
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031531 (CHEMBL3359162) Show SMILES Nc1nc2[nH]c(SCc3ccccc3F)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus HPPK after 20 mins by luciferase reporter gene assay				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50108009 (2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...) Show SMILES Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus HPPK after 20 mins by luciferase reporter gene assay				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031522 (CHEMBL3233207) Show SMILES COc1ccc(cc1)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O3S/c1-22-8-4-2-7(3-5-8)9(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	7.66E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031523 (CHEMBL3233201) Show SMILES Nc1nc2nc(SCC(=O)c3ccccc3)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031524 (CHEMBL3233212) Show SMILES CC(Sc1nc2nc(N)[nH]c(=O)c2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1/C14H13N5O2S/c1-7(10(20)8-5-3-2-4-6-8)22-14-16-9-11(18-14)17-13(15)19-12(9)21/h2-7H,1H3,(H4,15,16,17,18,19,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031525 (CHEMBL3233211) Show SMILES COc1ccccc1C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O3S/c1-22-9-5-3-2-4-7(9)8(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.17E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031526 (CHEMBL3359158) Show SMILES Nc1nc2[nH]c(SCC(=O)c3ccc(cc3)-c3ccccc3)nc2c(=O)[nH]1 Show InChI InChI=1S/C19H15N5O2S/c20-18-22-16-15(17(26)24-18)21-19(23-16)27-10-14(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H4,20,21,22,23,24,26)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031527 (CHEMBL3359159) Show SMILES COc1ccc(CCSc2nc3c(nc(N)[nH]c3=O)[nH]2)cc1 Show InChI InChI=1S/C14H15N5O2S/c1-21-9-4-2-8(3-5-9)6-7-22-14-16-10-11(18-14)17-13(15)19-12(10)20/h2-5H,6-7H2,1H3,(H4,15,16,17,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.35E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031528 (CHEMBL3359160) Show SMILES CC(=O)CSc1nc2c(nc(N)[nH]c2=O)[nH]1 Show InChI InChI=1S/C8H9N5O2S/c1-3(14)2-16-8-10-4-5(12-8)11-7(9)13-6(4)15/h2H2,1H3,(H4,9,10,11,12,13,15)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.27E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031529 (CHEMBL3359161) Show SMILES Nc1nc2[nH]c(SCc3ccccc3)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H11N5OS/c13-11-15-9-8(10(18)17-11)14-12(16-9)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17,18)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031531 (CHEMBL3359162) Show SMILES Nc1nc2[nH]c(SCc3ccccc3F)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031532 (CHEMBL3359163) Show SMILES Nc1nc2[nH]c(SCc3ccccc3C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H10F3N5OS/c14-13(15,16)7-4-2-1-3-6(7)5-23-12-18-8-9(20-12)19-11(17)21-10(8)22/h1-4H,5H2,(H4,17,18,19,20,21,22)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.26E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031533 (CHEMBL3233202) Show SMILES Nc1nc2nc(SCc3ccc(cc3)C#N)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50108009 (2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...) Show SMILES Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.62E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50031522 (CHEMBL3233207) Show SMILES COc1ccc(cc1)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O3S/c1-22-8-4-2-7(3-5-8)9(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50031523 (CHEMBL3233201) Show SMILES Nc1nc2nc(SCC(=O)c3ccccc3)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50031524 (CHEMBL3233212) Show SMILES CC(Sc1nc2nc(N)[nH]c(=O)c2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1/C14H13N5O2S/c1-7(10(20)8-5-3-2-4-6-8)22-14-16-9-11(18-14)17-13(15)19-12(9)21/h2-7H,1H3,(H4,15,16,17,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50031525 (CHEMBL3233211) Show SMILES COc1ccccc1C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O3S/c1-22-9-5-3-2-4-7(9)8(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50031526 (CHEMBL3359158) Show SMILES Nc1nc2[nH]c(SCC(=O)c3ccc(cc3)-c3ccccc3)nc2c(=O)[nH]1 Show InChI InChI=1S/C19H15N5O2S/c20-18-22-16-15(17(26)24-18)21-19(23-16)27-10-14(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H4,20,21,22,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50031527 (CHEMBL3359159) Show SMILES COc1ccc(CCSc2nc3c(nc(N)[nH]c3=O)[nH]2)cc1 Show InChI InChI=1S/C14H15N5O2S/c1-21-9-4-2-8(3-5-9)6-7-22-14-16-10-11(18-14)17-13(15)19-12(10)20/h2-5H,6-7H2,1H3,(H4,15,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50031528 (CHEMBL3359160) Show SMILES CC(=O)CSc1nc2c(nc(N)[nH]c2=O)[nH]1 Show InChI InChI=1S/C8H9N5O2S/c1-3(14)2-16-8-10-4-5(12-8)11-7(9)13-6(4)15/h2H2,1H3,(H4,9,10,11,12,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50031529 (CHEMBL3359161) Show SMILES Nc1nc2[nH]c(SCc3ccccc3)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H11N5OS/c13-11-15-9-8(10(18)17-11)14-12(16-9)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.39E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50031531 (CHEMBL3359162) Show SMILES Nc1nc2[nH]c(SCc3ccccc3F)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50031532 (CHEMBL3359163) Show SMILES Nc1nc2[nH]c(SCc3ccccc3C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H10F3N5OS/c14-13(15,16)7-4-2-1-3-6(7)5-23-12-18-8-9(20-12)19-11(17)21-10(8)22/h1-4H,5H2,(H4,17,18,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.74E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50031533 (CHEMBL3233202) Show SMILES Nc1nc2nc(SCc3ccc(cc3)C#N)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50108009 (2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...) Show SMILES Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus HPPK by isothermal calorimetry				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50108009 (2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...) Show SMILES Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031522 (CHEMBL3233207) Show SMILES COc1ccc(cc1)C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O3S/c1-22-8-4-2-7(3-5-8)9(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031523 (CHEMBL3233201) Show SMILES Nc1nc2nc(SCC(=O)c3ccccc3)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031524 (CHEMBL3233212) Show SMILES CC(Sc1nc2nc(N)[nH]c(=O)c2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1/C14H13N5O2S/c1-7(10(20)8-5-3-2-4-6-8)22-14-16-9-11(18-14)17-13(15)19-12(9)21/h2-7H,1H3,(H4,15,16,17,18,19,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031525 (CHEMBL3233211) Show SMILES COc1ccccc1C(=O)CSc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C14H13N5O3S/c1-22-9-5-3-2-4-7(9)8(20)6-23-14-16-10-11(18-14)17-13(15)19-12(10)21/h2-5H,6H2,1H3,(H4,15,16,17,18,19,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031526 (CHEMBL3359158) Show SMILES Nc1nc2[nH]c(SCC(=O)c3ccc(cc3)-c3ccccc3)nc2c(=O)[nH]1 Show InChI InChI=1S/C19H15N5O2S/c20-18-22-16-15(17(26)24-18)21-19(23-16)27-10-14(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H4,20,21,22,23,24,26)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031527 (CHEMBL3359159) Show SMILES COc1ccc(CCSc2nc3c(nc(N)[nH]c3=O)[nH]2)cc1 Show InChI InChI=1S/C14H15N5O2S/c1-21-9-4-2-8(3-5-9)6-7-22-14-16-10-11(18-14)17-13(15)19-12(10)20/h2-5H,6-7H2,1H3,(H4,15,16,17,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031528 (CHEMBL3359160) Show SMILES CC(=O)CSc1nc2c(nc(N)[nH]c2=O)[nH]1 Show InChI InChI=1S/C8H9N5O2S/c1-3(14)2-16-8-10-4-5(12-8)11-7(9)13-6(4)15/h2H2,1H3,(H4,9,10,11,12,13,15)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031529 (CHEMBL3359161) Show SMILES Nc1nc2[nH]c(SCc3ccccc3)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H11N5OS/c13-11-15-9-8(10(18)17-11)14-12(16-9)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17,18)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031531 (CHEMBL3359162) Show SMILES Nc1nc2[nH]c(SCc3ccccc3F)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031532 (CHEMBL3359163) Show SMILES Nc1nc2[nH]c(SCc3ccccc3C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H10F3N5OS/c14-13(15,16)7-4-2-1-3-6(7)5-23-12-18-8-9(20-12)19-11(17)21-10(8)22/h1-4H,5H2,(H4,17,18,19,20,21,22)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50031533 (CHEMBL3233202) Show SMILES Nc1nc2nc(SCc3ccc(cc3)C#N)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50108009 (2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...) Show SMILES Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase (Escherichia coli (strain K12))	BDBM50181514 (CHEMBL3819351) Show SMILES Nc1nc2[nH]c(SCC(O)C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1/C8H8F3N5O2S/c9-8(10,11)2(17)1-19-7-13-3-4(15-7)14-6(12)16-5(3)18/h2,17H,1H2,(H4,12,13,14,15,16,18)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) Article DOI: 10.1021/acs.jmedchem.6b00002 BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase (Escherichia coli (strain K12))	BDBM50181515 (CHEMBL3819144) Show SMILES Nc1nc2[nH]c(SCC(O)CO)nc2c(=O)[nH]1 Show InChI InChI=1/C8H11N5O3S/c9-7-11-5-4(6(16)13-7)10-8(12-5)17-2-3(15)1-14/h3,14-15H,1-2H2,(H4,9,10,11,12,13,16)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) Article DOI: 10.1021/acs.jmedchem.6b00002 BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase (Escherichia coli (strain K12))	BDBM50181516 (CHEMBL3819390) Show SMILES Nc1nc2[nH]c(SCCCO)nc2c(=O)[nH]1 Show InChI InChI=1S/C8H11N5O2S/c9-7-11-5-4(6(15)13-7)10-8(12-5)16-3-1-2-14/h14H,1-3H2,(H4,9,10,11,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) Article DOI: 10.1021/acs.jmedchem.6b00002 BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase (Escherichia coli (strain K12))	BDBM50181517 (CHEMBL3818353) Show SMILES Nc1nc2[nH]c(SCCO)nc2c(=O)[nH]1 Show InChI InChI=1S/C7H9N5O2S/c8-6-10-4-3(5(14)12-6)9-7(11-4)15-2-1-13/h13H,1-2H2,(H4,8,9,10,11,12,14)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.92E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) Article DOI: 10.1021/acs.jmedchem.6b00002 BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50181518 (CHEMBL3819092) Show SMILES Nc1nc2[nH]c(SCc3ccc(F)c(c3)C#N)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H9FN6OS/c14-8-2-1-6(3-7(8)4-15)5-22-13-17-9-10(19-13)18-12(16)20-11(9)21/h1-3H,5H2,(H4,16,17,18,19,20,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) Article DOI: 10.1021/acs.jmedchem.6b00002 BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50181519 (CHEMBL3819017) Show SMILES Cc1cc(CSc2nc3c(nc(N)[nH]c3=O)[nH]2)ccc1F Show InChI InChI=1S/C13H12FN5OS/c1-6-4-7(2-3-8(6)14)5-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h2-4H,5H2,1H3,(H4,15,16,17,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) Article DOI: 10.1021/acs.jmedchem.6b00002 BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50181520 (CHEMBL3818609) Show SMILES Nc1nc2[nH]c(SCc3ccc(F)c(F)c3)nc2c(=O)[nH]1 Show InChI InChI=1S/C12H9F2N5OS/c13-6-2-1-5(3-7(6)14)4-21-12-16-8-9(18-12)17-11(15)19-10(8)20/h1-3H,4H2,(H4,15,16,17,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) Article DOI: 10.1021/acs.jmedchem.6b00002 BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50181521 (CHEMBL3818603) Show SMILES Nc1nc2[nH]c(SCc3ccc(F)cc3C#N)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H9FN6OS/c14-8-2-1-6(7(3-8)4-15)5-22-13-17-9-10(19-13)18-12(16)20-11(9)21/h1-3H,5H2,(H4,16,17,18,19,20,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) Article DOI: 10.1021/acs.jmedchem.6b00002 BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50181522 (CHEMBL3819098) Show SMILES Cc1cc(F)ccc1CSc1nc2c(nc(N)[nH]c2=O)[nH]1 Show InChI InChI=1S/C13H12FN5OS/c1-6-4-8(14)3-2-7(6)5-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h2-4H,5H2,1H3,(H4,15,16,17,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) Article DOI: 10.1021/acs.jmedchem.6b00002 BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50181523 (CHEMBL3819281) Show SMILES Nc1nc2[nH]c(SCc3ccc(cc3F)C#N)nc2c(=O)[nH]1 Show InChI InChI=1S/C13H9FN6OS/c14-8-3-6(4-15)1-2-7(8)5-22-13-17-9-10(19-13)18-12(16)20-11(9)21/h1-3H,5H2,(H4,16,17,18,19,20,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) Article DOI: 10.1021/acs.jmedchem.6b00002 BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair				3D Structure (crystal)
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50181524 (CHEMBL3819161) Show SMILES COc1ccc(CSc2nc3c(nc(N)[nH]c3=O)[nH]2)c(F)c1 Show InChI InChI=1S/C13H12FN5O2S/c1-21-7-3-2-6(8(14)4-7)5-22-13-16-9-10(18-13)17-12(15)19-11(9)20/h2-4H,5H2,1H3,(H4,15,16,17,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) Article DOI: 10.1021/acs.jmedchem.6b00002 BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair

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