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Target
4,4'-diapophytoene synthase
Ligand
BDBM50292853
Substrate
n/a
Meas. Tech.
ChEMBL_494370 (CHEMBL941163)
IC50
2200±n/a nM
Citation
 Song, Y; Lin, FY; Yin, F; Hensler, M; Rodrígues Poveda, CA; Mukkamala, D; Cao, R; Wang, H; Morita, CT; González Pacanowska, D; Nizet, V; Oldfield, E Phosphonosulfonates are potent, selective inhibitors of dehydrosqualene synthase and staphyloxanthin biosynthesis in Staphylococcus aureus. J Med Chem 52:976-88 (2009) [PubMed]  Article 
Target
Name:
4,4'-diapophytoene synthase
Synonyms:
CRTM_STAAU | Dehydrosqualene synthase | crtM
Type:
PROTEIN
Mol. Mass.:
34309.10
Organism:
Staphylococcus aureus
Description:
ChEMBL_1352846
Residue:
287
Sequence:
MTMMDMNFKYCHKIMKKHSKSFSYAFDLLPEDQRKAVWAIYAVCRKIDDSIDVYGDIQFLNQIKEDIQSIEKYPYEYHHFQSDRRIMMALQHVAQHKNIAFQSFYNLIDTVYKDQHFTMFETDAELFGYCYGVAGTVGEVLTPILSDHETHQTYDVARRLGESLQLINILRDVGEDFENERIYFSKQRLKQYEVDIAEVYQNGVNNHYIDLWEYYAAIAEKDFRDVMDQIKVFSIEAQPIIELAARIYIEILDEVRQANYTLHERVFVEKRKKAKLFHEINSKYHRI
  
Inhibitor
Name:
BDBM50292853
Synonyms:
1-Phosphono-4-[3-(3,4-dichlorophenoxy)phenyl]butylsulfonic Acid Tripotassium Salt | CHEMBL489113
Type:
Small organic molecule
Emp. Form.:
C16H14Cl2O7PS
Mol. Mass.:
452.225
SMILES:
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)S([O-])(=O)=O
Structure:
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