Reaction Details  Report a problem with these data
Target
Protein farnesyltransferase alpha subunit/subunit beta
Ligand
BDBM238358
Substrate
n/a
Meas. Tech.
T. brucei FTase Assay
IC50
46000±13000 nM
Citation
 Lethu, S; Bosc, D; Mouray, E; Grellier, P; Dubois, J New protein farnesyltransferase inhibitors in the 3-arylthiophene 2-carboxylic acid series: diversification of the aryl moiety by solid-phase synthesis. J Enzyme Inhib Med Chem 28:163-71 (2013) [PubMed]  Article
Target
Name:
Protein farnesyltransferase alpha subunit/subunit beta
Synonyms:
Farnesyltransferase (FTase)
Type:
Enzyme
Mol. Mass.:
n/a
Description:
T. brucei FTase
Components:
This complex has 2 components.
Component 1
Name:
Protein farnesyltransferase alpha subunit
Synonyms:
Protein farnesyltransferase subunit alpha
Type:
Protein
Mol. Mass.:
70116.60
Organism:
Trypanosoma brucei brucei
Description:
Q9NC77
Residue:
612
Sequence:
MNKSAVRSEESRQSSSLPSTYSSSSLNSEDERLALLSDINALQALFPGVTPKEETPLIKHPNMTPAVFSKKFDYVMGIYRAVGVTFKGTRVGPSTPQWLLLTSFVIQQNASHYSAWKDRRDVFLQPSRLVTSTRDAFMAENGQQCCGDKTDSLAKVSQEWLPAQCDVQGPTGECSVWRAIRWELKAMERFALMNPKNFQVWHHRREMLREALMHANPVVTGSRSAFDGYLLTCHNMQFSDIDERVFCDAALDDDGKNYHAWLYRSWFVHSFPFLLHPPSWDSLLGGDQGTEDKHSELRAAPFRSFTVEEDWLHKCLQPIIPECPLSDELTSTAKRILHDCMNNSAWCHRFYVFEHDLIVPLIRVIPPQQTEEAKLILKRLCECEMFYALQWCAYEPCNESAFVHARCVAVLHQAVAIHLCLSSHGDAPHVFLRGDETIQVAGSSSLRHINLRDKLRWGAFLETFRLLLCQVNVLSDVITPRAEEFRSGGEGRDNATISVIHKRRSQFLLDNTHQVYTARYRCLFTILEYMWRCYFTVSDRANVAAALPPEVYAGGDAEAAALAQQQSDDCVKFFLEAELQALRLARRLVVEDDIRRKYWKHEMNIVMNRDYV
  
Component 2
Name:
Protein farnesyltransferase subunit beta
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
65426.56
Organism:
Trypanosoma brucei brucei
Description:
Q9NC76
Residue:
585
Sequence:
MSFVPPPASSTTHAQREVELTLLRFLEKYRPEVCDLWGTHSDIHLHADSNEKEEEMCTIDNEEGIVHSLNRESHEKYLKSRLVKLPEYAQRLYNAQPWMVYWTLQAAEMLGITEKLYEQISQDALGEFILSCLQEQPVEDEQKGCWGSEEGGKHGKGSMPQQCGNVYDFLRRCDADHTCAIGFSGGNYGQIPHLATSYAGVCSLCILGCPEYLQALPRSAIKRWLLSLRCADGSFRMHIGGEADIRASYCVAVITTLLQLQDVDVRSGDILREQEAQFVASCQTHEGGFACGRFASEAHGAYTQCGLAALILMKRPELCNYTALRGWLAARQLRFEGGFNGRTNKLVDSCYAHWVGASHVLLRVGESLAKITTCGETKRSLTSREMLLLDHAQLVDISNLHPESFEAWSQHEEEKQERASRVEAYLSATPLAASWSSSGVPNVLDDDAGDFYFNQRRLQLYILACCQNREEGGLMDKPNYPNDFYHTCYSLSGMSSAQNLQGMQVNRDGRDLSGNSFYAAALSRGYIPGRRDSYGIVLPSDERSGVSSELHLSKNCLRPTNPIFNINQSKVLFALRTWGAKTFMC
  
Inhibitor
Name:
BDBM238358
Synonyms:
3-(2-Fluorophenyl)-4-cyano-5-(isopropylthio)thiophene-2-carboxylic acid (1f)
Type:
Small organic molecule
Emp. Form.:
C15H12FNO2S2
Mol. Mass.:
321.39
SMILES:
CC(C)Sc1sc(C(O)=O)c(c1C#N)-c1ccccc1F |(-5.51,1.87,;-4.02,2.27,;-3.62,3.76,;-2.93,1.18,;-1.47,1.66,;-.22,.75,;1.03,1.66,;2.49,1.18,;3.63,2.21,;2.81,-.33,;.55,3.12,;-.99,3.12,;-1.9,4.37,;-2.67,5.7,;1.46,4.37,;.83,5.77,;1.73,7.02,;3.27,6.86,;3.89,5.45,;2.99,4.21,;3.61,2.8,)|
Structure:
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