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Target
4,4'-diapophytoene synthase
Ligand
BDBM50049236
Substrate
n/a
Meas. Tech.
ChEMBL_1589761 (CHEMBL3830163)
IC50
83±n/a nM
Citation
 Wang, Y; Di, H; Chen, F; Xu, Y; Xiao, Q; Wang, X; Wei, H; Lu, Y; Zhang, L; Zhu, J; Lan, L; Li, J Discovery of Benzocycloalkane Derivatives Efficiently Blocking Bacterial Virulence for the Treatment of Methicillin-Resistant S. aureus (MRSA) Infections by Targeting Diapophytoene Desaturase (CrtN). J Med Chem 59:4831-48 (2016) [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:
BDBM50049236
Synonyms:
(+/-)-1-Phosphono-4-(3-phenoxyphenyl)butylsulfonic Acid Tripotassium Salt | CHEMBL351151 | Tripotassium salt of 4-(3-Phenoxy-phenyl)-1-phosphono-butane-1-sulfonic acid | potassium salt of 4-(3-Phenoxy-phenyl)-1-phosphono-butane-1-sulfonic acid
Type:
Small organic molecule
Emp. Form.:
C16H16O7PS
Mol. Mass.:
383.334
SMILES:
[O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O
Structure:
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