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Target
4,4'-diapophytoene synthase
Ligand
BDBM50049229
Substrate
n/a
Meas. Tech.
ChEMBL_494370 (CHEMBL941163)
IC50
72400±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:
BDBM50049229
Synonyms:
1-Phosphono-4-[4-(4-butylphenyl)phenyl]butylsulfonic Acid Tripotassium Salt | CHEMBL158844 | Tripotassium salt of 4-(4'-Butyl-biphenyl-4-yl)-1-phosphono-butane-1-sulfonic acid
Type:
Small organic molecule
Emp. Form.:
C20H24O6PS
Mol. Mass.:
423.441
SMILES:
CCCCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1
Structure:
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