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Target
Heat shock protein 75 kDa, mitochondrial
Ligand
BDBM50180302
Substrate
n/a
Meas. Tech.
ChEMBL_2115998 (CHEMBL4824939)
IC50
192±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:
BDBM50180302
Synonyms:
8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)adenine | 8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine | 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE | CHEMBL200102 | US10336757, Compound PU-H71 | US10676476, Example 9
Type:
Small organic molecule
Emp. Form.:
C18H21IN6O2S
Mol. Mass.:
512.368
SMILES:
CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12
Structure:
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