Reaction Details Report a problem with these data
Target
3-oxoacyl-ACP synthase
Ligand
BDBM50512172
Substrate
n/a
Meas. Tech.
ChEMBL_1848049 (CHEMBL4348590)
IC50
1700±n/a nM
Citation
 Soheili, V; Tajani, AS; Ghodsi, R; Bazzaz, BSF Anti-PqsR compounds as next-generation antibacterial agents against Pseudomonas aeruginosa: A review. Eur J Med Chem 172:26-35 (2019) [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:
BDBM50512172
Synonyms:
CHEMBL4453677
Type:
Small organic molecule
Emp. Form.:
C12H17N5O2S
Mol. Mass.:
295.361
SMILES:
CCCCCCS(=O)(=O)c1nccc(n1)-n1ccnn1
Structure:
Search PDB for entries with ligand similarity: