Reaction Details Report a problem with these data
Target
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
Ligand
BDBM50485340
Substrate
n/a
Meas. Tech.
ChEMBL_828091 (CHEMBL2049830)
IC50
9530±n/a nM
Citation
 Shi, G; Shaw, G; Li, Y; Wu, Y; Yan, H; Ji, X Bisubstrate analog inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: new lead exhibits a distinct binding mode. Bioorg Med Chem 20:4303-9 (2012) [PubMed]  Article 
Target
Name:
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
Synonyms:
JW0138 | PPPK | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase | 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase | HPPK | HPPK_ECOLI | folK
Type:
PROTEIN
Mol. Mass.:
18075.55
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_108237
Residue:
159
Sequence:
MTVAYIAIGSNLASPLEQVNAALKALGDIPESHILTVSSFYRTPPLGPQDQPDYLNAAVALETSLAPEELLNHTQRIELQQGRVRKAERWGPRTLDLDIMLFGNEVINTERLTVPHYDMKNRGFMLWPLFEIAPELVFPDGEMLRQILHTRAFDKLNKW
  
Inhibitor
Name:
BDBM50485340
Synonyms:
CHEMBL2046607
Type:
Small organic molecule
Emp. Form.:
C23H30N12O8S
Mol. Mass.:
634.64
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
Structure:
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