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Target
HPr kinase/phosphorylase
Ligand
BDBM50137122
Substrate
n/a
Meas. Tech.
ChEMBL_81578 (CHEMBL689338)
pH
8±n/a
IC50
18000±n/a nM
Comments
extracted
Citation
 Bunyapaiboonsri, T; Ramström, H; Ramström, O; Haiech, J; Lehn, JM Generation of bis-cationic heterocyclic inhibitors of Bacillus subtilis HPr kinase/phosphatase from a ditopic dynamic combinatorial library. J Med Chem 46:5803-11 (2003) [PubMed]  Article 
Target
Name:
HPr kinase/phosphorylase
Synonyms:
HPRK_BACSU | HPr kinase | hprK | ptsK | yvoB
Type:
PROTEIN
Mol. Mass.:
34693.07
Organism:
Bacillus subtilis
Description:
ChEMBL_81578
Residue:
310
Sequence:
MAKVRTKDVMEQFNLELISGEEGINRPITMSDLSRPGIEIAGYFTYYPRERVQLLGKTELSFFEQLPEEEKKQRMDSLCTDVTPAIILSRDMPIPQELIDASEKNGVPVLRSPLKTTRLSSRLTNFLESRLAPTTAIHGVLVDIYGVGVLITGKSGVGKSETALELVKRGHRLVADDCVEIRQEDQDTLVGNAPELIEHLLEIRGLGIINVMTLFGAGAVRSNKRITIVMNLELWEQGKQYDRLGLEEETMKIIDTEITKLTIPVRPGRNLAVIIEVAAMNFRLKRMGLNAAEQFTNKLADVIEDGEQEE
  
Inhibitor
Name:
BDBM50137122
Synonyms:
(3-Benzyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid [1-(4-{[2-(3-benzyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetyl]-hydrazonomethyl}-phenyl)-meth-(E)-ylidene]-hydrazide; dihydrobromide | CHEMBL552627
Type:
Small organic molecule
Emp. Form.:
C40H36N10O2
Mol. Mass.:
688.7796
SMILES:
N=c1n(CC(=O)N\N=C\c2ccc(\C=N\NC(=O)Cn3c4ccccc4n(Cc4ccccc4)c3=N)cc2)c2ccccc2n1Cc1ccccc1
Structure:
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