Reaction Details Report a problem with these data
Target
D-beta-D-heptose 7-phosphate kinase
Ligand
BDBM50425038
Substrate
n/a
Meas. Tech.
ChEMBL_936590 (CHEMBL2318753)
IC50
230±n/a nM
Citation
 Lee, TW; Verhey, TB; Antiperovitch, PA; Atamanyuk, D; Desroy, N; Oliveira, C; Denis, A; Gerusz, V; Drocourt, E; Loutet, SA; Hamad, MA; Stanetty, C; Andres, SN; Sugiman-Marangos, S; Kosma, P; Valvano, MA; Moreau, F; Junop, MS Structural-functional studies of Burkholderia cenocepacia D-glycero-ß-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties. J Med Chem 56:1405-17 (2013) [PubMed]  Article 
Target
Name:
D-beta-D-heptose 7-phosphate kinase
Synonyms:
hldA
Type:
PROTEIN
Mol. Mass.:
33999.14
Organism:
Burkholderia cepacia (strain J2315 / LMG 16656) (Burkholderiacenocepacia (strain J2315))
Description:
ChEMBL_936590
Residue:
316
Sequence:
MNTLREVVPVPREQLARSRVLVVGDVMLDRYWFGNVDRISPEAPVPVVHVQRQEERLGGAANVARNAVTLGGQAGLLCVVGCDEPGERIVELLGSSGVTPHLERDPALPTTIKLRVLARQQQLLRVDFEAMPTHEVLLAGLARFDVLLPQHDVVLMSDYAKGGLTHVTTMIEKARAAGKAVLVDPKGDDWARYRGASLITPNRAELREVVGQWKSEDDLRARVANLRAELDIDALLLTRSEEGMTLFSAGGELHAPALAREVFDVSGAGDTVIATVATMLGAGVPLVDAVVLANRAAGIVVGKLGTATVDYDELFH
  
Inhibitor
Name:
BDBM50425038
Synonyms:
CHEMBL2312560
Type:
Small organic molecule
Emp. Form.:
C19H13Cl2N5O3S
Mol. Mass.:
462.309
SMILES:
OC(=O)COc1ccc2sc(CNc3nncc(n3)-c3c(Cl)cccc3Cl)nc2c1
Structure:
Search PDB for entries with ligand similarity: