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BDBM50031526 CHEMBL3359158

SMILES: Nc1nc2[nH]c(SCC(=O)c3ccc(cc3)-c3ccccc3)nc2c(=O)[nH]1

InChI Key: InChIKey=JPQMPGXXKRYOGX-UHFFFAOYSA-N

Data: 3 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50031526   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031526
PNG
(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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 2.15E+4n/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase


(Staphylococcus aureus)
BDBM50031526
PNG
(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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 810n/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bacterial dihydropteroate synthase


(Escherichia coli (strain K12))
BDBM50031526
PNG
(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
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 8.40E+3n/an/an/an/an/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)

More data for this
Ligand-Target Pair