BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMultidrug efflux pump
LigandBDBM84126
Substrate/Competitorn/a
Meas. Tech.Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Mdr1 with Hit compounds from Cherry Pick1
EC50 13700±n/a nM
Citation PubChem, PC Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Mdr1 with Hit compounds from Cherry Pick1 PubChem Bioassay(2011)[AID]
More Info.:Get all data from this article,  Assay Method
 
Multidrug efflux pump
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:
MHYRFLRDSFVGRVTYHLSKHKYFAHPEEAKDYIVPEKYLADYKPTLADDTSINFEKEEI
DNQGEPNSSQSSSSNNTIVDNNNNNDNDVDGDKIVVTWDGDDDPENPQNWPTLQKAFFIF
QISFLTTSVYMGSAVYTPGIEELMHDFGIGRVVATLPLTLFVIGYGVGPLVFSPMSENAI
FGRTSIYIITLFLFVILQIPTALVNNIAGLCILRFLGGFFASPCLATGGASVADVVKFWN
LPVGLAAWSLGAVCGPSFGPFFGSILTVKASWRWTFWFMCIISGFSFVMLCFTLPETFGK
TLLYRKAKRLRAITGNDRITSEGEIENSKMTSHELIIDTLWRPLEITVMEPVVLLINIYI
AMVYSILYLFFEVFPIYFVGVKHFTLVELGTTYMSIVIGIVIAAFIYIPVIRQKFTKPIL
RQEQVFPEVFIPIAIVGGILLTSGLFIFGWSANRTTHWVGPLFGAATTASGAFLIFQTLF
NFMGASFKPHYIASVFASNDLFRSVIASVFPLFGAPLFDNLATPEYPVAWGSSVLGFITL
VMIAIPVLFYLNGPKLRARSKYAN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM84126
n/a
NameBDBM84126
Synonyms:4-[2-[4-[2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophen-3-yl]phenoxy]ethyl]morpholine | 4-[2-[4-[2-(3,5-dimethoxyphenyl)-5-methoxy-benzothiophen-3-yl]phenoxy]ethyl]morpholine | MLS002603244 | SMR001522219 | cid_44601953
TypeSmall organic molecule
Emp. Form.C29H31NO5S
Mol. Mass.505.625
SMILESCOc1ccc2sc(c(-c3ccc(OCCN4CCOCC4)cc3)c2c1)-c1cc(OC)cc(OC)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: