Reaction Details Report a problem with these data
Target
4,4'-diapophytoene synthase
Ligand
BDBM50388905
Substrate
n/a
Meas. Tech.
ChEMBL_830992 (CHEMBL2065644)
IC50
>300000±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:
BDBM50388905
Synonyms:
CHEMBL2063255
Type:
Small organic molecule
Emp. Form.:
C19H27NO5
Mol. Mass.:
349.4214
SMILES:
CCCCCCOc1cccc(CCCNC(=O)CC(=O)C(O)=O)c1
Structure:
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