BDBM50485340 CHEMBL2046607

SMILES CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)NCCS(=O)(=O)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C

InChI Key InChIKey=QCWCABDSXQYDST-UHFFFAOYSA-N

Data  1 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50485340   

Target2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase(Escherichia coli (strain K12))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50485340(CHEMBL2046607)
Affinity DataIC50: 9.53E+3nMAssay Description:Inhibition of Escherichia coli HPPK using [alpha-33P]ATP after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase(Escherichia coli (strain K12))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50485340(CHEMBL2046607)
Affinity DataKd:  4.16E+3nMAssay Description:Binding affinity to Escherichia coli HPPK at pH 8.3 by fluorometric titrationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)