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Target
Multidrug efflux pump
Ligand
BDBM84121
Substrate
n/a
Meas. Tech.
Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Mdr1 with Hit compounds from Cherry Pick1
EC50
21200±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:
BDBM84121
Synonyms:
5-[(4-bromophenyl)methyl]-7-(phenylmethyl)-4-(4-phenyl-1-piperazinyl)-7,8-dihydropteridin-6-one | 5-[(4-bromophenyl)methyl]-7-(phenylmethyl)-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one | 7-benzyl-5-(4-bromobenzyl)-4-(4-phenylpiperazino)-7,8-dihydropteridin-6-one | 7-benzyl-5-[(4-bromophenyl)methyl]-4-(4-phenylpiperazin-1-yl)-7,8-dihydropteridin-6-one | MLS001074624 | SMR000814268 | cid_42600948
Type:
Small organic molecule
Emp. Form.:
C30H29BrN6O
Mol. Mass.:
569.495
SMILES:
Brc1ccc(CN2C(=O)C(Cc3ccccc3)Nc3ncnc(N4CCN(CC4)c4ccccc4)c23)cc1
Structure:
Search PDB for entries with ligand similarity: