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Target
Heat shock protein 75 kDa, mitochondrial
Ligand
BDBM50445478
Substrate
n/a
Meas. Tech.
ChEMBL_1284500 (CHEMBL3106548)
Ki
1195±n/a nM
Citation
 Ernst, JT; Liu, M; Zuccola, H; Neubert, T; Beaumont, K; Turnbull, A; Kallel, A; Vought, B; Stamos, D Correlation between chemotype-dependent binding conformations of HSP90a/ß and isoform selectivity-Implications for the structure-based design of HSP90a/ß selective inhibitors for treating neurodegenerative diseases. Bioorg Med Chem Lett 24:204-8 (2013) [PubMed]  Article 
Target
Name:
Heat shock protein 75 kDa, mitochondrial
Synonyms:
HSP75 | TRAP1 | TRAP1_HUMAN
Type:
PROTEIN
Mol. Mass.:
80120.13
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1478164
Residue:
704
Sequence:
MARELRALLLWGRRLRPLLRAPALAAVPGGKPILCPRRTTAQLGPRRNPAWSLQAGRLFSTQTAEDKEEPLHSIISSTESVQGSTSKHEFQAETKKLLDIVARSLYSEKEVFIRELISNASDALEKLRHKLVSDGQALPEMEIHLQTNAEKGTITIQDTGIGMTQEELVSNLGTIARSGSKAFLDALQNQAEASSKIIGQFGVGFYSAFMVADRVEVYSRSAAPGSLGYQWLSDGSGVFEIAEASGVRTGTKIIIHLKSDCKEFSSEARVRDVVTKYSNFVSFPLYLNGRRMNTLQAIWMMDPKDVREWQHEEFYRYVAQAHDKPRYTLHYKTDAPLNIRSIFYVPDMKPSMFDVSRELGSSVALYSRKVLIQTKATDILPKWLRFIRGVVDSEDIPLNLSRELLQESALIRKLRDVLQQRLIKFFIDQSKKDAEKYAKFFEDYGLFMREGIVTATEQEVKEDIAKLLRYESSALPSGQLTSLSEYASRMRAGTRNIYYLCAPNRHLAEHSPYYEAMKKKDTEVLFCFEQFDELTLLHLREFDKKKLISVETDIVVDHYKEEKFEDRSPAAECLSEKETEELMAWMRNVLGSRVTNVKVTLRLDTHPAMVTVLEMGAARHFLRMQQLAKTQEERAQLLQPTLEINPRHALIKKLNQLRASEPGLAQLLVDQIYENAMIAAGLVDDPRAMVGRLNELLVKALERH
  
Inhibitor
Name:
BDBM50445478
Synonyms:
CHEMBL3104858
Type:
Small organic molecule
Emp. Form.:
C22H26FN3O3
Mol. Mass.:
399.4585
SMILES:
Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc(F)c(C(N)=O)c(N[C@H]2CCOC2)c1 |r|
Structure:
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