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Target
Cycloartenol synthase
Ligand
BDBM50433361
Substrate
n/a
Meas. Tech.
ChEMBL_956102 (CHEMBL2379127)
IC50
500±n/a nM
Citation
 Lange, S; Keller, M; Müller, C; Oliaro-Bosso, S; Balliano, G; Bracher, F Aminopropylindenes derived from Grundmann's ketone as a novel chemotype of oxidosqualene cyclase inhibitors. Eur J Med Chem 63:758-64 (2013) [PubMed]  Article 
Target
Name:
Cycloartenol synthase
Synonyms:
CAS1 | CAS1_ARATH | CYC
Type:
PROTEIN
Mol. Mass.:
86025.20
Organism:
Arabidopsis thaliana
Description:
ChEMBL_956102
Residue:
759
Sequence:
MWKLKIAEGGSPWLRTTNNHVGRQFWEFDPNLGTPEDLAAVEEARKSFSDNRFVQKHSADLLMRLQFSRENLISPVLPQVKIEDTDDVTEEMVETTLKRGLDFYSTIQAHDGHWPGDYGGPMFLLPGLIITLSITGALNTVLSEQHKQEMRRYLYNHQNEDGGWGLHIEGPSTMFGSVLNYVTLRLLGEGPNDGDGDMEKGRDWILNHGGATNITSWGKMWLSVLGAFEWSGNNPLPPEIWLLPYFLPIHPGRMWCHCRMVYLPMSYLYGKRFVGPITSTVLSLRKELFTVPYHEVNWNEARNLCAKEDLYYPHPLVQDILWASLHKIVEPVLMRWPGANLREKAIRTAIEHIHYEDENTRYICIGPVNKVLNMLCCWVEDPNSEAFKLHLPRIHDFLWLAEDGMKMQGYNGSQLWDTGFAIQAILATNLVEEYGPVLEKAHSFVKNSQVLEDCPGDLNYWYRHISKGAWPFSTADHGWPISDCTAEGLKAALLLSKVPKAIVGEPIDAKRLYEAVNVIISLQNADGGLATYELTRSYPWLELINPAETFGDIVIDYPYVECTSAAIQALISFRKLYPGHRKKEVDECIEKAVKFIESIQAADGSWYGSWAVCFTYGTWFGVKGLVAVGKTLKNSPHVAKACEFLLSKQQPSGGWGESYLSCQDKVYSNLDGNRSHVVNTAWAMLALIGAGQAEVDRKPLHRAARYLINAQMENGDFPQQEIMGVFNRNCMITYAAYRNIFPIWALGEYRCQVLLQQGE
  
Inhibitor
Name:
BDBM50433361
Synonyms:
CHEMBL2377452
Type:
Small organic molecule
Emp. Form.:
C26H47N
Mol. Mass.:
373.6581
SMILES:
CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@]12C |r,c:11|
Structure:
Search PDB for entries with ligand similarity: