Reaction Details Report a problem with these data
Target
Cycloartenol-C-24-methyltransferase
Ligand
BDBM50195622
Substrate
n/a
Meas. Tech.
ChEMBL_415082 (CHEMBL912396)
IC50
>100000±n/a nM
Citation
 Gros, L; Lorente, SO; Jimenez, CJ; Yardley, V; Rattray, L; Wharton, H; Little, S; Croft, SL; Ruiz-Perez, LM; Gonzalez-Pacanowska, D; Gilbert, IH Evaluation of azasterols as anti-parasitics. J Med Chem 49:6094-103 (2006) [PubMed]  Article 
Target
Name:
Cycloartenol-C-24-methyltransferase
Synonyms:
24-sterol C-methyltransferase | CPH | SMT1 | SMT1_ARATH
Type:
PROTEIN
Mol. Mass.:
38266.01
Organism:
Arabidopsis thaliana
Description:
ChEMBL_415082
Residue:
336
Sequence:
MDLASNLGGKIDKSDVLTAVEKYEQYHVFHGGNEEERKANYTDMVNKYYDLATSFYEYGWGESFHFAQRWKGESLRESIKRHEHFLALQLGIQPGQKVLDVGCGIGGPLREIARFSNSVVTGLNNNEYQITRGKELNRLAGVDKTCNFVKADFMKMPFPENSFDAVYAIEATCHAPDAYGCYKEIYRVLKPGQCFAAYEWCMTDAFDPDNAEHQKIKGEIEIGDGLPDIRLTTKCLEALKQAGFEVIWEKDLAKDSPVPWYLPLDKNHFSLSSFRLTAVGRFITKNMVKILEYIRLAPQGSQRVSNFLEQAAEGLVDGGRREIFTPMYFFLARKPE
  
Inhibitor
Name:
BDBM50195622
Synonyms:
3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl octanoate) amine | CHEMBL218237
Type:
Small organic molecule
Emp. Form.:
C33H55NO4
Mol. Mass.:
529.7941
SMILES:
COC(=O)CCCCCCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O |t:21|
Structure:
Search PDB for entries with ligand similarity: