Reaction Details Report a problem with these data
Target
Heat shock protein 75 kDa, mitochondrial
Ligand
BDBM50582399
Substrate
n/a
Meas. Tech.
ChEMBL_2154489 (CHEMBL5039149)
Ki
>300000±n/a nM
Citation
 Yoshimura, C; Nagatoishi, S; Kuroda, D; Kodama, Y; Uno, T; Kitade, M; Chong-Takata, K; Oshiumi, H; Muraoka, H; Yamashita, S; Kawai, Y; Ohkubo, S; Tsumoto, K Thermodynamic Dissection of Potency and Selectivity of Cytosolic Hsp90 Inhibitors. J Med Chem 64:2669-2677 (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:
BDBM50582399
Synonyms:
CHEMBL5094983
Type:
Small organic molecule
Emp. Form.:
C30H28N6O2
Mol. Mass.:
504.5823
SMILES:
NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(ccnc12)-n1cnc(c1)-c1ccccc1 |(-1.67,-8.76,;-.34,-7.99,;1,-8.76,;-.34,-6.45,;-1.67,-5.69,;-1.67,-4.14,;-.34,-3.37,;.99,-4.14,;.99,-5.68,;2.32,-6.45,;3.66,-5.68,;3.66,-4.14,;4.99,-3.37,;6.32,-4.14,;7.66,-3.37,;6.32,-5.68,;4.99,-6.45,;-.34,-1.83,;1,-1.06,;.99,.48,;-.34,1.25,;-1.67,.48,;-3.01,1.25,;-4.33,.47,;-4.33,-1.05,;-3,-1.82,;-1.67,-1.06,;-3.01,2.79,;-1.88,3.82,;-2.5,5.24,;-4,5.09,;-4.34,3.56,;-5.08,6.18,;-6.57,5.78,;-7.66,6.87,;-7.26,8.36,;-5.78,8.76,;-4.68,7.68,)|
Structure:
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