Reaction Details Report a problem with these data
Target
Glucose-1-phosphate thymidylyltransferase
Ligand
BDBM52313
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
>6.0e+4±n/a nM
Citation
Alphey, MS; Pirrie, L; Torrie, LS; Boulkeroua, WA; Gardiner, M; Sarkar, A; Maringer, M; Oehlmann, W; Brenk, R; Scherman, MS; McNeil, M; Rejzek, M; Field, RA; Singh, M; Gray, D; Westwood, NJ; Naismith, JH Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem Biol 8:387-96 (2013) [PubMed] Article
More Info.:
Target
Name:
Glucose-1-phosphate thymidylyltransferase
Synonyms:
Glucose-1-phosphate thymidylyltransferase (RmlA)
Type:
Protein
Mol. Mass.:
32451.00
Organism:
Pseudomonas aeruginosa
Description:
Q9HU22
Residue:
293
Sequence:
MKRKGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREILIISTPQDTPRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGNDLSALVLGDNLYYGHDFHELLGSASQRQTGASVFAYHVLDPERYGVVEFDQGGKAISLEEKPLEPKSNYAVTGLYFYDQQVVDIARDLKPSPRGELEITDVNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIATLENRQGLKVACPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTETVY
Inhibitor
Name:
BDBM52313
Synonyms:
6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione | 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-quinone | 6-amino-5-(methylamino)-1-(phenylmethyl)pyrimidine-2,4-dione | 6-azanyl-5-(methylamino)-1-(phenylmethyl)pyrimidine-2,4-dione | Analogue of 1a, 12a | MLS000564217 | SMR000151677 | cid_726225
Type:
Small organic molecule
Emp. Form.:
C12H14N4O2
Mol. Mass.:
246.2652
SMILES:
CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O