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Target
HPr kinase/phosphorylase
Ligand
BDBM50144926
Substrate
n/a
Meas. Tech.
ChEMBL_87256 (CHEMBL699246)
EC50
16000±n/a nM
Citation
 Ramström, H; Bourotte, M; Philippe, C; Schmitt, M; Haiech, J; Bourguignon, JJ Heterocyclic bis-cations as starting hits for design of inhibitors of the bifunctional enzyme histidine-containing protein kinase/phosphatase from Bacillus subtilis. J Med Chem 47:2264-75 (2004) [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:
BDBM50144926
Synonyms:
3-[12-(2-amino-1-benzyl-1H-benzo[d]imidazol-3-ium-3-yl)dodecyl]-1-benzyl-1H-benzo[d]imidazol-3-ium-2-amine diethanetetraoate and adenosine diphosphate | CHEMBL385600
Type:
Small organic molecule
Emp. Form.:
C40H50N6
Mol. Mass.:
614.8641
SMILES:
[NH2+]=c1n(CCCCCCCCCCCCn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])c2ccccc2n1Cc1ccccc1
Structure:
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