Reaction Details Report a problem with these data
Target
4,4'-diapophytoene synthase
Ligand
BDBM50268509
Substrate
n/a
Meas. Tech.
ChEMBL_523732 (CHEMBL1007539)
Ki
30±n/a nM
Citation
 Song, Y; Liu, CI; Lin, FY; No, JH; Hensler, M; Liu, YL; Jeng, WY; Low, J; Liu, GY; Nizet, V; Wang, AH; Oldfield, E Inhibition of staphyloxanthin virulence factor biosynthesis in Staphylococcus aureus: in vitro, in vivo, and crystallographic results. J Med Chem 52:3869-80 (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:
BDBM50268509
Synonyms:
CHEMBL495623 | N-[3-(3-(3,4-Dichlorophenoxy)phenyl)propyl]phosphonoacetamide Dipotassium Salt
Type:
Small organic molecule
Emp. Form.:
C17H16Cl2NO5P
Mol. Mass.:
416.193
SMILES:
[O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1
Structure:
Search PDB for entries with ligand similarity: