Reaction Details  Report a problem with these data
Target
4,4'-diapophytoene synthase
Ligand
BDBM50049231
Substrate
n/a
Meas. Tech.
ChEMBL_494370 (CHEMBL941163)
IC50
21900±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:
BDBM50049231
Synonyms:
CHEMBL347175 | CHEMBL513790 | Trisodium salt of 4-Biphenyl-4-yl-1-phosphono-butane-1-sulfonic acid
Type:
Small organic molecule
Emp. Form.:
C16H16O6PS
Mol. Mass.:
367.335
SMILES:
[O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccccc1)S([O-])(=O)=O
Structure:
Search PDB for entries with ligand similarity: