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Target
4,4'-diapophytoene synthase
Ligand
BDBM50049236
Substrate
n/a
Meas. Tech.
ChEMBL_1677652 (CHEMBL4027795)
IC50
110±n/a nM
Citation
 Li, B; Ni, S; Mao, F; Chen, F; Liu, Y; Wei, H; Chen, W; Zhu, J; Lan, L; Li, J Novel Terminal Bipheny-Based Diapophytoene Desaturases (CrtN) Inhibitors as Anti-MRSA/VISR/LRSA Agents with Reduced hERG Activity. J Med Chem 61:224-250 (2018) [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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