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Target
Cycloartenol synthase
Ligand
BDBM50255601
Substrate
n/a
Meas. Tech.
ChEMBL_515551 (CHEMBL1036572)
IC50
4100±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:
BDBM50255601
Synonyms:
CHEMBL481209 | N-(4-(5-(diethylamino)-5-methylhexyl)cyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C25H41F3N2O2S
Mol. Mass.:
490.665
SMILES:
CCN(CC)C(C)(C)CCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:15.18,wD:12.11,(4.85,-12.48,;3.51,-13.24,;3.51,-14.78,;2.18,-15.55,;.85,-14.78,;4.85,-15.55,;4.07,-16.87,;5.61,-16.87,;6.17,-14.78,;7.5,-15.55,;8.84,-14.78,;10.17,-15.55,;11.5,-14.78,;12.84,-15.55,;14.17,-14.78,;14.17,-13.23,;12.83,-12.47,;11.5,-13.24,;15.49,-12.47,;15.49,-10.93,;16.82,-13.23,;18.15,-14.01,;16.06,-14.57,;17.59,-11.9,;16.81,-10.57,;17.57,-9.22,;19.12,-9.22,;19.89,-10.55,;19.12,-11.89,;19.89,-7.89,;20.65,-6.57,;21.22,-8.66,;18.56,-7.13,)|
Structure:
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