Reaction Details Report a problem with these data
Target
Replicative DNA helicase
Ligand
BDBM50400422
Substrate
n/a
Meas. Tech.
ChEMBL_877478 (CHEMBL2183632)
IC50
>100000±n/a nM
Citation
 Li, B; Pai, R; Di, M; Aiello, D; Barnes, MH; Butler, MM; Tashjian, TF; Peet, NP; Bowlin, TL; Moir, DT Coumarin-based inhibitors of Bacillus anthracis and Staphylococcus aureus replicative DNA helicase: chemical optimization, biological evaluation, and antibacterial activities. J Med Chem 55:10896-908 (2012) [PubMed]  Article 
Target
Name:
Replicative DNA helicase
Synonyms:
BAS5321 | GBAA_5717 | dnaB
Type:
PROTEIN
Mol. Mass.:
50177.37
Organism:
Bacillus anthracis
Description:
ChEMBL_877478
Residue:
453
Sequence:
MSDVMADRTPPHNIEAEQAVLGAILIDQDALTSASELLVPDSFYRTKHQKIFEVMLGLSDKGEPIDLVMMTSAMADQGLLEEVGGVSYLAELAEVVPTAANVEYYARIIAEKALLRRLIRTATHIVSDGYEREDDVDGLLNEAEKKILEVSHQTNAKAFQNIKDVLVDAYDKIELLHNQKGEVTGIPTGFTELDKMTAGFQRNDLIIVAARPSVGKTAFSLNIAQNVATKTDENVAIFSLEMGADQLVMRMLCAEGNIDAQRLRTGSLTSDDWAKLTMAMGSLSNAGIYIDDTPGIKVNEIRAKCRRLKQEQGLGMILIDYLQLIQGSGKSGENRQQEVSEISRTLKGIARELQVPVIALSQLSRGVESRQDKRPMMSDIRESGSIEQDADIVAFLYREDYYDRETENKNTIEIIIAKQRNGPVGSVELAFVKEFNKFVNLERRFEDGHAPPA
  
Inhibitor
Name:
BDBM50400422
Synonyms:
CHEMBL2178450
Type:
Small organic molecule
Emp. Form.:
C28H26ClNO4
Mol. Mass.:
475.963
SMILES:
CNC(=O)CCc1c(C)c2ccc(OCc3ccc(cc3)-c3ccc(Cl)cc3)c(C)c2oc1=O
Structure:
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