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Target
Histidine kinase
Ligand
BDBM50453881
Substrate
n/a
Meas. Tech.
ChEMBL_1751472 (CHEMBL4186232)
IC50
28000±n/a nM
Citation
 Vo, CD; Shebert, HL; Zikovich, S; Dryer, RA; Huang, TP; Moran, LJ; Cho, J; Wassarman, DR; Falahee, BE; Young, PD; Gu, GH; Heinl, JF; Hammond, JW; Jackvony, TN; Frederick, TE; Blair, JA Repurposing Hsp90 inhibitors as antibiotics targeting histidine kinases. Bioorg Med Chem Lett 27:5235-5244 (2017) [PubMed]  Article 
Target
Name:
Histidine kinase
Synonyms:
Cell cycle histidine kinase CckA | cckA
Type:
PROTEIN
Mol. Mass.:
73062.72
Organism:
Caulobacter vibrioides
Description:
ChEMBL_117872
Residue:
691
Sequence:
MADLQLQDKVSTGAPRRRFDPWLVGAAVFFVAAAALSAAPALKAGPTTLAGLLLLLGVAGVAVLGLVAIRGSALSGGDADQAEGFIEALAEPAALAAADGRVLAANGPWREVMGEQRRLPKGVAGSSLFAALVQARQGQMAEGMLSAGGTDYTAKVSRLAGGRLMIRLAPIVVAEPVVEDASPAPVAERAAPPPSSLDAFAGASPFGAALLEGLEPFTSRVLETNPALTTMTGAKAGVLFGDLIDAASRAEAETRLNEGRAGPYEVRLARDPSRIAHLYLYRAEGRLVAYMIDVSEQKQIELQLSQAQKMQAIGQLAGGVAHDFNNLLTAIQLRLDELLHRHPVGDPSYEGLNEIRQTGVRAADLVRKLLAFSRKQTVQREVLDLGELISEFEVLLRRLLREDVKLITDYGRDLPQVRADKSQLETAVMNLAVNARDAVRAAKGGGVVRIRTARLTRDEAIQLGFPAADGDTAFIEVSDDGPGIPPDVMGKIFDPFFTTKPVGEGTGLGLATVYGIVKQSDGWIHVHSRPNEGAAFRIFLPVYEAPAGAVAVQAVAEPAKPRAARDLSGAGRILFVEDEDAVRSVAARLLRARGYEVLEAADGEEALIIAEENAGTIDLLISDVIMPGIDGPTLLKKARGYLGTAPVMFISGYAEAEFSDLLEGETGVTFLPKPIDIKTLAERVKQQLQAA
  
Inhibitor
Name:
BDBM50453881
Synonyms:
CCT018159 | CHEBI:41656 | CHEMBL399530
Type:
Small organic molecule
Emp. Form.:
C20H20N2O4
Mol. Mass.:
352.3838
SMILES:
CCc1cc(-c2[nH]nc(C)c2-c2ccc3OCCOc3c2)c(O)cc1O
Structure:
Search PDB for entries with ligand similarity: