Reaction Details Report a problem with these data
Target
4,4'-diapophytoene synthase
Ligand
BDBM50388903
Substrate
n/a
Meas. Tech.
ChEMBL_830992 (CHEMBL2065644)
IC50
24000±n/a nM
Citation
 Zhang, Y; Fu-Yang, Lin; Li, K; Zhu, W; Liu, YL; Cao, R; Pang, R; Lee, E; Axelson, J; Hensler, M; Wang, K; Molohon, KJ; Wang, Y; Mitchell, DA; Nizet, V; Oldfield, E HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett 3:402-406 (2012) [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:
BDBM50388903
Synonyms:
CHEMBL2063253
Type:
Small organic molecule
Emp. Form.:
C19H19NO5
Mol. Mass.:
341.3579
SMILES:
OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1
Structure:
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