Reaction Details Report a problem with these data
Target
Heat shock-related 70 kDa protein 2
Ligand
BDBM50531169
Substrate
n/a
Meas. Tech.
ChEMBL_1914504 (CHEMBL4417087)
Ki
>200000±n/a nM
Citation
 Pettinger, J; Carter, M; Jones, K; Cheeseman, MD Kinetic Optimization of Lysine-Targeting Covalent Inhibitors of HSP72. J Med Chem 62:11383-11398 (2019) [PubMed]  Article 
Target
Name:
Heat shock-related 70 kDa protein 2
Synonyms:
HSP72_HUMAN | HSPA2 | Heat shock 70 kDa protein 2 | Heat shock-related 70 kDa protein 2
Type:
PROTEIN
Mol. Mass.:
70013.58
Organism:
Homo sapiens
Description:
ChEMBL_119381
Residue:
639
Sequence:
MSARGPAIGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVAMNPTNTIFDAKRLIGRKFEDATVQSDMKHWPFRVVSEGGKPKVQVEYKGETKTFFPEEISSMVLTKMKEIAEAYLGGKVHSAVITVPAYFNDSQRQATKDAGTITGLNVLRIINEPTAAAIAYGLDKKGCAGGEKNVLIFDLGGGTFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVSHLAEEFKRKHKKDIGPNKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGVDFYTSITRARFEELNADLFRGTLEPVEKALRDAKLDKGQIQEIVLVGGSTRIPKIQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAILIGDKSENVQDLLLLDVTPLSLGIETAGGVMTPLIKRNTTIPTKQTQTFTTYSDNQSSVLVQVYEGERAMTKDNNLLGKFDLTGIPPAPRGVPQIEVTFDIDANGILNVTAADKSTGKENKITITNDKGRLSKDDIDRMVQEAERYKSEDEANRDRVAAKNALESYTYNIKQTVEDEKLRGKISEQDKNKILDKCQEVINWLDRNQMAEKDEYEHKQKELERVCNPIISKLYQGGPGGGSGGGGSGASGGPTIEEVD
  
Inhibitor
Name:
BDBM50531169
Synonyms:
CHEMBL4592795
Type:
Small organic molecule
Emp. Form.:
C27H26ClFN6O7S
Mol. Mass.:
633.048
SMILES:
[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2COC(=O)c1ccc(cc1)S(F)(=O)=O)n1c(NCc2ccc(Cl)cc2)nc2c(N)ncnc12 |r|
Structure:
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