Reaction Details Report a problem with these data
Target
Lanosterol synthase ERG7
Ligand
BDBM50128062
Substrate
n/a
Meas. Tech.
ChEMBL_515548 (CHEMBL1036569)
IC50
180±n/a nM
Citation
 Balliano, G; Dehmlow, H; Oliaro-Bosso, S; Scaldaferri, M; Taramino, S; Viola, F; Caron, G; Aebi, J; Ackermann, J Oxidosqualene cyclase from Saccharomyces cerevisiae, Trypanosoma cruzi, Pneumocystis carinii and Arabidopsis thaliana expressed in yeast: a model for the development of novel antiparasitic agents. Bioorg Med Chem Lett 19:718-23 (2009) [PubMed]  Article 
Target
Name:
Lanosterol synthase ERG7
Synonyms:
ERG7 | ERG7_YEAST | Lanosterol synthase
Type:
PROTEIN
Mol. Mass.:
83460.43
Organism:
Saccharomyces cerevisiae
Description:
ChEMBL_956105
Residue:
731
Sequence:
MTEFYSDTIGLPKTDPRLWRLRTDELGRESWEYLTPQQAANDPPSTFTQWLLQDPKFPQPHPERNKHSPDFSAFDACHNGASFFKLLQEPDSGIFPCQYKGPMFMTIGYVAVNYIAGIEIPEHERIELIRYIVNTAHPVDGGWGLHSVDKSTVFGTVLNYVILRLLGLPKDHPVCAKARSTLLRLGGAIGSPHWGKIWLSALNLYKWEGVNPAPPETWLLPYSLPMHPGRWWVHTRGVYIPVSYLSLVKFSCPMTPLLEELRNEIYTKPFDKINFSKNRNTVCGVDLYYPHSTTLNIANSLVVFYEKYLRNRFIYSLSKKKVYDLIKTELQNTDSLCIAPVNQAFCALVTLIEEGVDSEAFQRLQYRFKDALFHGPQGMTIMGTNGVQTWDCAFAIQYFFVAGLAERPEFYNTIVSAYKFLCHAQFDTECVPGSYRDKRKGAWGFSTKTQGYTVADCTAEAIKAIIMVKNSPVFSEVHHMISSERLFEGIDVLLNLQNIGSFEYGSFATYEKIKAPLAMETLNPAEVFGNIMVEYPYVECTDSSVLGLTYFHKYFDYRKEEIRTRIRIAIEFIKKSQLPDGSWYGSWGICFTYAGMFALEALHTVGETYENSSTVRKGCDFLVSKQMKDGGWGESMKSSELHSYVDSEKSLVVQTAWALIALLFAEYPNKEVIDRGIDLLKNRQEESGEWKFESVEGVFNHSCAIEYPSYRFLFPIKALGMYSRAYETHTL
  
Inhibitor
Name:
BDBM50128062
Synonyms:
(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE | (4-Bromo-phenyl)-{4-[4-(cyclopropyl-methyl-amino)-but-2-enyloxy]-phenyl}-methanone | CHEMBL479653 | CHEMBL62855 | N-(4-(4-(4-bromobenzoyl)phenoxy)but-2-enyl)-N-methylcyclopropanaminium
Type:
Small organic molecule
Emp. Form.:
C21H22BrNO2
Mol. Mass.:
400.309
SMILES:
CN(C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1
Structure:
Search PDB for entries with ligand similarity: