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Target
Multidrug efflux pump
Ligand
BDBM50874
Substrate
n/a
Meas. Tech.
Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Mdr1 with Hit compounds from Cherry Pick1
EC50
9630±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:
BDBM50874
Synonyms:
(2Z)-2-(2-furanylmethylidene)-6-hydroxy-7-(1-piperidinylmethyl)-3-benzofuranone | (2Z)-2-(2-furfurylidene)-6-hydroxy-7-(piperidinomethyl)coumaran-3-one | (2Z)-2-(furan-2-ylmethylidene)-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one | (2Z)-2-(furan-2-ylmethylidene)-6-oxidanyl-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one | 2-[1-Furan-2-yl-meth-(Z)-ylidene]-6-hydroxy-7-piperidin-1-ylmethyl-benzofuran-3-one | MLS000551821 | SMR000145746 | cid_2041056
Type:
Small organic molecule
Emp. Form.:
C19H19NO4
Mol. Mass.:
325.3585
SMILES:
Oc1ccc2C(=O)\C(Oc2c1CN1CCCCC1)=C\c1ccco1
Structure:
Search PDB for entries with ligand similarity: