Reaction Details Report a problem with these data
Target
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
Ligand
BDBM50200099
Substrate
n/a
Meas. Tech.
ChEMBL_1335026 (CHEMBL3239457)
Kd
18000±n/a nM
Citation
 Yun, MK; Hoagland, D; Kumar, G; Waddell, MB; Rock, CO; Lee, RE; White, SW The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase. Bioorg Med Chem 22:2157-65 (2014) [PubMed]  Article 
Target
Name:
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
Synonyms:
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase | HPPK | HPPK_ECOLI | JW0138 | PPPK | folK
Type:
PROTEIN
Mol. Mass.:
18075.55
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_108237
Residue:
159
Sequence:
MTVAYIAIGSNLASPLEQVNAALKALGDIPESHILTVSSFYRTPPLGPQDQPDYLNAAVALETSLAPEELLNHTQRIELQQGRVRKAERWGPRTLDLDIMLFGNEVINTERLTVPHYDMKNRGFMLWPLFEIAPELVFPDGEMLRQILHTRAFDKLNKW
  
Inhibitor
Name:
BDBM50200099
Synonyms:
2-Amino-1,7-dihydro-purine-6-thione | 2-Amino-1,9-dihydro-purine-6-thione | 2-Amino-9H-purine-6-thiol | 2-amino-1,9-dihydro-6H-purine-6-thione | 2-amino-1H-purine-6(7H)-thione | 2-amino-1H-purine-6(9H)-thione | 6-thioguanine | CHEMBL727 | THIOGUANINE | Thioquanine | Tioguanine
Type:
Small organic molecule
Emp. Form.:
C5H5N5S
Mol. Mass.:
167.192
SMILES:
Nc1nc2nc[nH]c2c(=S)[nH]1
Structure:
Search PDB for entries with ligand similarity: