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Target
Heat shock protein 75 kDa, mitochondrial
Ligand
BDBM50571914
Substrate
n/a
Meas. Tech.
ChEMBL_2115998 (CHEMBL4824939)
IC50
477±n/a nM
Citation
 Yang, S; Yoon, NG; Kim, D; Park, E; Kim, SY; Lee, JH; Lee, C; Kang, BH; Kang, S Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity. ACS Med Chem Lett 12:1173-1180 (2021) [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:
BDBM50571914
Synonyms:
CHEMBL4859919
Type:
Small organic molecule
Emp. Form.:
C12H9BrClFN6
Mol. Mass.:
371.595
SMILES:
Nc1nc2c(Cl)nc(N)nc2n1Cc1ccc(Br)cc1F
Structure:
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