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Target
Multidrug efflux pump
Ligand
BDBM84134
Substrate
n/a
Meas. Tech.
Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Mdr1 with Cherry Pick2 compound set
EC50
25170±n/a nM
Citation
 PubChem, PC Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Mdr1 with Cherry Pick2 compound set PubChem Bioassay (2012)[AID] 
Target
Name:
Multidrug efflux pump
Synonyms:
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds
Type:
Enzyme Catalytic Domain
Mol. Mass.:
62915.82
Organism:
Candida albicans
Description:
Q09GR2
Residue:
564
Sequence:
MHYRFLRDSFVGRVTYHLSKHKYFAHPEEAKDYIVPEKYLADYKPTLADDTSINFEKEEIDNQGEPNSSQSSSSNNTIVDNNNNNDNDVDGDKIVVTWDGDDDPENPQNWPTLQKAFFIFQISFLTTSVYMGSAVYTPGIEELMHDFGIGRVVATLPLTLFVIGYGVGPLVFSPMSENAIFGRTSIYIITLFLFVILQIPTALVNNIAGLCILRFLGGFFASPCLATGGASVADVVKFWNLPVGLAAWSLGAVCGPSFGPFFGSILTVKASWRWTFWFMCIISGFSFVMLCFTLPETFGKTLLYRKAKRLRAITGNDRITSEGEIENSKMTSHELIIDTLWRPLEITVMEPVVLLINIYIAMVYSILYLFFEVFPIYFVGVKHFTLVELGTTYMSIVIGIVIAAFIYIPVIRQKFTKPILRQEQVFPEVFIPIAIVGGILLTSGLFIFGWSANRTTHWVGPLFGAATTASGAFLIFQTLFNFMGASFKPHYIASVFASNDLFRSVIASVFPLFGAPLFDNLATPEYPVAWGSSVLGFITLVMIAIPVLFYLNGPKLRARSKYAN
  
Inhibitor
Name:
BDBM84134
Synonyms:
(2R,3R,4S)-4-(4-bromophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide | (2R,3R,4S)-4-(4-bromophenyl)-2-ethoxy-3-(3-oxidanylpropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide | MLS000766547 | SMR000441974 | cid_16197076
Type:
Small organic molecule
Emp. Form.:
C23H26BrNO4
Mol. Mass.:
460.361
SMILES:
CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1ccc(Br)cc1)C(=O)Nc1ccccc1 |c:5|
Structure:
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