Target
3-oxoacyl-ACP synthase
Ligand
BDBM50079712
Substrate
n/a
Meas. Tech.
ChEMBL_1472518 (CHEMBL3421140)
IC50
30300±n/a nM
Citation
 Sahner, JHEmpting, MKamal, AWeidel, EGroh, MBörger, CHartmann, RW Exploring the chemical space of ureidothiophene-2-carboxylic acids as inhibitors of the quorum sensing enzyme PqsD from Pseudomonas aeruginosa. Eur J Med Chem 96:14-21 (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:
BDBM50079712
Synonyms:
CHEMBL3414795
Type:
Small organic molecule
Emp. Form.:
C18H18N2O8S
Mol. Mass.:
422.409
SMILES:
COc1ccc(cc1)-c1cc(NC(=O)N[C@@H](CCC(O)=O)C(O)=O)c(s1)C(O)=O |r|
Structure:
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