Target
Multidrug efflux pump
Ligand
BDBM84120
Substrate
n/a
Meas. Tech.
Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Mdr1 with Hit compounds from Cherry Pick1
EC50
11±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] 
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:
BDBM84120
Synonyms:
2-(4-methoxyphenyl)ethyl 4-amino-3-nitrobenzoate | 2-(4-methoxyphenyl)ethyl 4-azanyl-3-nitro-benzoate | 4-amino-3-nitro-benzoic acid 2-(4-methoxyphenyl)ethyl ester | 4-amino-3-nitrobenzoic acid 2-(4-methoxyphenyl)ethyl ester | MLS001149186 | SMR000688848 | cid_8246695
Type:
Small organic molecule
Emp. Form.:
C16H16N2O5
Mol. Mass.:
316.3086
SMILES:
COc1ccc(CCOC(=O)c2ccc(N)c(c2)[N+]([O-])=O)cc1
Structure:
Search PDB for entries with ligand similarity: