Reaction Details Report a problem with these data
Target
4,4'-diapophytoene synthase
Ligand
BDBM50460683
Substrate
n/a
Meas. Tech.
ChEMBL_1770082 (CHEMBL4222194)
Ki
5190±n/a nM
Citation
 Banu, S; Bollu, R; Naseema, M; Gomedhika, PM; Nagarapu, L; Sirisha, K; Kumar, CG; Gundasw, SK A novel templates of piperazinyl-1,2-dihydroquinoline-3-carboxylates: Synthesis, anti-microbial evaluation and molecular docking studies. Bioorg Med Chem Lett 28:1166-1170 (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:
BDBM50460683
Synonyms:
CHEMBL4227441
Type:
Small organic molecule
Emp. Form.:
C22H29N3O5
Mol. Mass.:
415.4828
SMILES:
CCOC(=O)c1c(N2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n(C)c1=O
Structure:
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