Reaction Details Report a problem with these data
Target
Heat shock-related 70 kDa protein 2
Ligand
BDBM50531171
Substrate
n/a
Meas. Tech.
ChEMBL_1914498 (CHEMBL4417081)
Ki
2500±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:
BDBM50531171
Synonyms:
CHEMBL4556409
Type:
Small organic molecule
Emp. Form.:
C31H28ClFN6O6
Mol. Mass.:
635.042
SMILES:
Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C(=O)Oc4ccc(F)cc4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r|
Structure:
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