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Target
Cycloartenol synthase
Ligand
BDBM50255431
Substrate
n/a
Meas. Tech.
ChEMBL_515551 (CHEMBL1036572)
IC50
1000±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:
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:
BDBM50255431
Synonyms:
4-(trifluoromethyl)phenyl 4-(5-(allyl(methyl)amino)pentyl)cyclohexyl(methyl)carbamate 2-hydroxypropane-1,2,3-tricarboxylate | CHEMBL448434
Type:
Small organic molecule
Emp. Form.:
C24H35F3N2O2
Mol. Mass.:
440.5421
SMILES:
CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(-5.96,-29.96,;-5.96,-31.5,;-4.63,-32.27,;-3.29,-31.5,;-1.96,-32.27,;-.63,-31.5,;.71,-32.27,;2.04,-31.5,;3.36,-32.27,;4.69,-31.51,;4.7,-29.97,;3.37,-29.19,;2.03,-29.96,;6.04,-29.2,;6.04,-27.66,;7.37,-29.98,;7.36,-31.52,;8.71,-29.21,;10.04,-29.99,;10,-31.53,;11.32,-32.32,;12.67,-31.58,;12.7,-30.03,;11.38,-29.24,;13.99,-32.38,;15.32,-33.15,;13.2,-33.7,;14.77,-31.05,;-7.3,-32.27,;-8.63,-31.5,;-9.96,-32.27,)|
Structure:
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