Reaction Details |
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Target | 3-oxoacyl-ACP synthase |
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Ligand | BDBM50079640 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1472518 (CHEMBL3421140) |
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IC50 | 32000±n/a nM |
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Citation | Sahner, JH; Empting, M; Kamal, A; Weidel, E; Groh, M; Börger, C; Hartmann, RW Exploring the chemical space of ureidothiophene-2-carboxylic acids as inhibitors of the quorum sensing enzyme PqsD from Pseudomonas aeruginosa. Eur J Med Chem96:14-21 (2015) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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3-oxoacyl-ACP synthase |
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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: | MGNPILAGLGFSLPKRQVSNHDLVGRINTSDEFIVERTGVRTRYHVEPEQAVSALMVPAA
RQAIEAAGLLPEDIDLLLVNTLSPDHHDPSQACLIQPLLGLRHIPVLDIRAQCSGLLYGL
QMARGQILAGLARHVLVVCGEVLSKRMDCSDRGRNLSILLGDGAGAVVVSAGESLDDGLL
DLRLGADGNYFDLLMTAAPGSASPTFLDENVLREGGGEFLMRGRPMFEHASQTLVRIAGE
MLAAHELTLDDIDHVICHQPNLRILDAVQEQLGIPQHKFAVTVDRLGNMASASTPVTLAM
FWPDIQPGQRVLVLTYGSGATWGAALYRKPEEVNRPC
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BDBM50079640 |
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n/a |
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Name | BDBM50079640 |
Synonyms: | CHEMBL3414808 |
Type | Small organic molecule |
Emp. Form. | C26H27N3O6S2 |
Mol. Mass. | 541.639 |
SMILES | COc1ccc(cc1)-c1cc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)SCCNC(C)=O)c(s1)C(O)=O |r| |
Structure |
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