Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHeat shock protein 75 kDa, mitochondrial
LigandBDBM50003886
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1336951
Ki 8800±n/a nM
Citation Ernst JTNeubert TLiu MSperry SZuccola HTurnbull AFleck BKargo WWoody LChiang PTran DChen WSnyder PAlcacio TNezami AReynolds JAlvi KGoulet LStamos D Identification of novel HSP90a/ isoform selective inhibitors using structure-based drug design. demonstration of potential utility in treating CNS disorders such as Huntington's disease. J Med Chem 57:3382-400 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Heat shock protein 75 kDa, mitochondrial
Name:Heat shock protein 75 kDa, mitochondrial
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:80120.13
Organism:Homo sapiens (Human)
Description:ChEMBL_1478164
Residue:704
Sequence:
MARELRALLLWGRRLRPLLRAPALAAVPGGKPILCPRRTTAQLGPRRNPAWSLQAGRLFS
TQTAEDKEEPLHSIISSTESVQGSTSKHEFQAETKKLLDIVARSLYSEKEVFIRELISNA
SDALEKLRHKLVSDGQALPEMEIHLQTNAEKGTITIQDTGIGMTQEELVSNLGTIARSGS
KAFLDALQNQAEASSKIIGQFGVGFYSAFMVADRVEVYSRSAAPGSLGYQWLSDGSGVFE
IAEASGVRTGTKIIIHLKSDCKEFSSEARVRDVVTKYSNFVSFPLYLNGRRMNTLQAIWM
MDPKDVREWQHEEFYRYVAQAHDKPRYTLHYKTDAPLNIRSIFYVPDMKPSMFDVSRELG
SSVALYSRKVLIQTKATDILPKWLRFIRGVVDSEDIPLNLSRELLQESALIRKLRDVLQQ
RLIKFFIDQSKKDAEKYAKFFEDYGLFMREGIVTATEQEVKEDIAKLLRYESSALPSGQL
TSLSEYASRMRAGTRNIYYLCAPNRHLAEHSPYYEAMKKKDTEVLFCFEQFDELTLLHLR
EFDKKKLISVETDIVVDHYKEEKFEDRSPAAECLSEKETEELMAWMRNVLGSRVTNVKVT
LRLDTHPAMVTVLEMGAARHFLRMQQLAKTQEERAQLLQPTLEINPRHALIKKLNQLRAS
EPGLAQLLVDQIYENAMIAAGLVDDPRAMVGRLNELLVKALERH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50003886
n/a
NameBDBM50003886
Synonyms:CHEMBL3235337
TypeSmall organic molecule
Emp. Form.C24H32N4O3
Mol. Mass.424.5359
SMILESCOCCNc1cc(ccc1C(N)=O)-n1c2CN(C)CCc2c2c1CC(C)(C)CC2=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: