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Target
Cycloartenol synthase
Ligand
BDBM50255599
Substrate
n/a
Meas. Tech.
ChEMBL_515551 (CHEMBL1036572)
IC50
1500±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:
BDBM50255599
Synonyms:
CHEMBL481015 | N-(4-(5-(bis(2-hydroxyethyl)amino)pentyl)cyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C23H37F3N2O4S
Mol. Mass.:
494.611
SMILES:
CN([C@H]1CC[C@H](CCCCCN(CCO)CCO)CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:2.1,wD:5.5,(15.72,-4.98,;15.72,-6.52,;14.4,-7.28,;14.4,-8.82,;13.07,-9.6,;11.73,-8.82,;10.4,-9.6,;9.07,-8.82,;7.74,-9.6,;6.4,-8.82,;5.08,-9.6,;3.75,-8.82,;2.42,-9.6,;1.08,-8.82,;1.09,-7.29,;3.75,-7.29,;5.08,-6.52,;5.08,-4.99,;11.74,-7.28,;13.06,-6.52,;17.05,-7.28,;18.39,-8.05,;16.29,-8.61,;17.82,-5.94,;17.03,-4.61,;17.78,-3.26,;19.33,-3.24,;20.11,-4.56,;19.35,-5.91,;20.08,-1.91,;20.83,-.57,;21.42,-2.66,;18.75,-1.15,)|
Structure:
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