Target
3-oxoacyl-ACP synthase
Ligand
BDBM50062007
Substrate
n/a
Meas. Tech.
ChEMBL_1462635 (CHEMBL3399322)
IC50
20000±n/a nM
Citation
 Allegretta, GWeidel, EEmpting, MHartmann, RW Catechol-based substrates of chalcone synthase as a scaffold for novel inhibitors of PqsD. Eur J Med Chem 90:351-9 (2015) [PubMed]  Article 
Target
Name:
3-oxoacyl-ACP synthase
Synonyms:
2-heptyl-4(1H)-quinolone synthase PqsD | 3-oxoacyl-(Acyl carrier protein) synthase III | 3-oxoacyl-ACP synthase | ERS445055_04170 | PA8380_44470 | PAE221_04722 | PQB biosynthetic 3-oxoacyl-[acyl-carrier-protein] synthase III | YQ19_24710 | pqsD
Type:
PROTEIN
Mol. Mass.:
36357.84
Organism:
Pseudomonas aeruginosa
Description:
ChEMBL_109728
Residue:
337
Sequence:
MGNPILAGLGFSLPKRQVSNHDLVGRINTSDEFIVERTGVRTRYHVEPEQAVSALMVPAARQAIEAAGLLPEDIDLLLVNTLSPDHHDPSQACLIQPLLGLRHIPVLDIRAQCSGLLYGLQMARGQILAGLARHVLVVCGEVLSKRMDCSDRGRNLSILLGDGAGAVVVSAGESLDDGLLDLRLGADGNYFDLLMTAAPGSASPTFLDENVLREGGGEFLMRGRPMFEHASQTLVRIAGEMLAAHELTLDDIDHVICHQPNLRILDAVQEQLGIPQHKFAVTVDRLGNMASASTPVTLAMFWPDIQPGQRVLVLTYGSGATWGAALYRKPEEVNRPC
  
Inhibitor
Name:
BDBM50062007
Synonyms:
CHEMBL3397067
Type:
Small organic molecule
Emp. Form.:
C10H13NO3
Mol. Mass.:
195.2151
SMILES:
CNC(=O)CCc1ccc(O)c(O)c1
Structure:
Search PDB for entries with ligand similarity: