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Target
ATP-dependent molecular chaperone HSP82
Ligand
BDBM51482
Substrate
n/a
Meas. Tech.
Fluorescence Cell-Based Secondary Assay to Identify Inhibitors of Resistant C. albicans Growth in the Presence of Fluconazole
EC50
21088±1931 nM
Citation
 PubChem, PC Fluorescence Cell-Based Secondary Assay to Identify Inhibitors of Resistant C. albicans Growth in the Presence of Fluconazole PubChem Bioassay (2010)[AID] 
Target
Name:
ATP-dependent molecular chaperone HSP82
Synonyms:
heat shock protein 90
Type:
Enzyme Catalytic Domain
Mol. Mass.:
80784.12
Organism:
Candida albicans
Description:
gi_994798
Residue:
707
Sequence:
MADAKVETHEFTAEISQLMSLIINTVYSNKEIFLRELISNASDALDKIRYQALSDPSQLESEPELFIRIIPQKDQKVLEIRDSGIGMTKADLVNNLGTIAKSGTKSFMEALSAGADVSMIGQFGVGFYSLFLVADHVQVISKHNDDEQYVWESNAGGKFTVTLDETNERLGRGTMLRLFLKEDQLEYLEEKRIKEVVKKHSEFVAYPIQLVVTKEVEKEVPETEEEDKAAEEDDKKPKLEEVKDEEDEKKEKKTKTVKEEVTETEELNKTKPLWTRNPSDITQDEYNAFYKSISNDWEDPLAVKHFSVEGQLEFRAILFVPKRAPFDAFESKKKKNNIKLYVRRVFITDDAEELIPEWLSFIKGVVDSEDLPLNLSREMLQQNKILKVIRKNIVKKMIETFNEISEDQEQFNQFYTAFSKNIKLGIHEDAQNRQSLAKLLRFYSTKSSEEMTSLSDYVTRMPEHQKNIYYITGESIKAVEKSPFLDALKAKNFEVLFMVDPIDEYAMTQLKEFEDKKLVDITKDFELEESDEEKAAREKEIKEYEPLTKALKDILGDQVEKVVVSYKLVDAPAAIRTGQFGWSANMERIMKAQALRDTTMSSYMSSKKTFEISPSSPIIKELKKKVETDGAEDKTVKDLTTLLFDTALLTSGFTLDEPSNFAHRINRLIALGLNIDDDSEETAVEPEATTTASTDEPAGESAMEEVD
  
Inhibitor
Name:
BDBM51482
Synonyms:
5-cyano-6-[[2-(ethoxycarbonylamino)-2-oxoethyl]thio]-2-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester | 6-[[2-(carbethoxyamino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid allyl ester | MLS000078487 | SMR000036561 | cid_660278 | prop-2-enyl 5-cyano-6-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate | prop-2-enyl 5-cyano-6-[2-(ethoxycarbonylamino)-2-oxoethyl]sulfanyl-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate
Type:
Small organic molecule
Emp. Form.:
C21H22N4O5S
Mol. Mass.:
442.488
SMILES:
CCOC(=O)NC(=O)CSC1=NC(C)=C(C(C1C#N)c1cccnc1)C(=O)OCC=C |c:13,t:10|
Structure:
Search PDB for entries with ligand similarity: