Reaction Details Report a problem with these data
Target
3-oxoacyl-ACP synthase
Ligand
BDBM50029209
Substrate
n/a
Meas. Tech.
ChEMBL_1462635 (CHEMBL3399322)
IC50
51000±n/a nM
Citation
Allegretta, G; Weidel, E; Empting, M; Hartmann, 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
More Info.:
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:
BDBM50029209
Synonyms:
(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester | (E)-methyl 3-(3,4-dihydroxyphenyl)acrylate | 3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester | CHEMBL17001 | METHYLCAFFEATE | Methyl 1-(3',4'-dihydroxyphenyl)propenate | Methyl caffeate | methyl 3-(3,4-dihydroxyphenyl)acrylate
Type:
Small organic molecule
Emp. Form.:
C10H10O4
Mol. Mass.:
194.184
SMILES:
COC(=O)\C=C\c1ccc(O)c(O)c1