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Target
Multidrug efflux pump
Ligand
BDBM79375
Substrate
n/a
Meas. Tech.
Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Mdr1 with Cherry Pick2 compound set
EC50
50220±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:
BDBM79375
Synonyms:
1-[2-[4-[5-methoxy-2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine | 1-[2-[4-[5-methoxy-2-(2-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine | MLS002473617 | SMR001397784 | cid_44202261
Type:
Small organic molecule
Emp. Form.:
C28H29NO3S
Mol. Mass.:
459.6
SMILES:
COc1ccc2sc(c(-c3ccc(OCCN4CCCC4)cc3)c2c1)-c1ccccc1OC
Structure:
Search PDB for entries with ligand similarity: