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Target
Cycloartenol synthase
Ligand
BDBM50255602
Substrate
n/a
Meas. Tech.
ChEMBL_515551 (CHEMBL1036572)
IC50
320±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:
BDBM50255602
Synonyms:
CHEMBL520926 | N-(4-(4-(1-(diethylamino)cyclopropyl)butyl)cyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C25H39F3N2O2S
Mol. Mass.:
488.65
SMILES:
CCN(CC)C1(CCCC[C@H]2CC[C@@H](CC2)N(C)S(=O)(=O)c2ccc(cc2)C(F)(F)F)CC1 |r,wU:13.16,wD:10.9,(4.17,-7.27,;2.84,-8.04,;2.84,-9.57,;1.51,-10.35,;.18,-9.57,;4.17,-10.35,;5.5,-9.57,;6.83,-10.35,;8.16,-9.57,;9.5,-10.35,;10.83,-9.57,;12.16,-10.35,;13.5,-9.57,;13.49,-8.03,;12.16,-7.27,;10.83,-8.03,;14.82,-7.26,;14.82,-5.73,;16.15,-8.03,;17.48,-8.8,;15.38,-9.36,;16.91,-6.69,;16.14,-5.37,;16.9,-4.02,;18.45,-4.02,;19.22,-5.34,;18.45,-6.68,;19.21,-2.69,;19.97,-1.36,;20.54,-3.45,;17.88,-1.92,;3.4,-11.66,;4.93,-11.66,)|
Structure:
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