Reaction Details Report a problem with these data
Target
Histidine kinase
Ligand
BDBM15365
Substrate
n/a
Meas. Tech.
ChEMBL_1751472 (CHEMBL4186232)
IC50
46000±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:
BDBM15365
Synonyms:
3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1H-pyrazole | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol | CCT018159 analog 4
Type:
Small organic molecule
Emp. Form.:
C17H16N2O3
Mol. Mass.:
296.3205
SMILES:
COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(O)cc1O
Structure:
Search PDB for entries with ligand similarity: