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Target
Heat shock-related 70 kDa protein 2
Ligand
BDBM50617288
Substrate
n/a
Meas. Tech.
ChEMBL_2311415
IC50
700±n/a nM
Citation
 Ambrose, AJ; Sivinski, J; Zerio, CJ; Zhu, X; Godek, J; Kumirov, VK; Coma Brujas, T; Torra Garcia, J; Annadurai, A; Schmidlin, CJ; Werner, A; Shi, T; Zavareh, RB; Lairson, L; Zhang, DD; Chapman, E Discovery and Development of a Selective Inhibitor of the ER Resident Chaperone Grp78. J Med Chem 66:677-694 (2023) [PubMed] 
Target
Name:
Heat shock-related 70 kDa protein 2
Synonyms:
Heat shock 70 kDa protein 2 | Heat shock-related 70 kDa protein 2 | HSP72_HUMAN | HSPA2
Type:
PROTEIN
Mol. Mass.:
70013.58
Organism:
Human
Description:
ChEMBL_119381
Residue:
639
Sequence:
MSARGPAIGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVAMNPTNTIFDAKRLIGRKFEDATVQSDMKHWPFRVVSEGGKPKVQVEYKGETKTFFPEEISSMVLTKMKEIAEAYLGGKVHSAVITVPAYFNDSQRQATKDAGTITGLNVLRIINEPTAAAIAYGLDKKGCAGGEKNVLIFDLGGGTFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVSHLAEEFKRKHKKDIGPNKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGVDFYTSITRARFEELNADLFRGTLEPVEKALRDAKLDKGQIQEIVLVGGSTRIPKIQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAILIGDKSENVQDLLLLDVTPLSLGIETAGGVMTPLIKRNTTIPTKQTQTFTTYSDNQSSVLVQVYEGERAMTKDNNLLGKFDLTGIPPAPRGVPQIEVTFDIDANGILNVTAADKSTGKENKITITNDKGRLSKDDIDRMVQEAERYKSEDEANRDRVAAKNALESYTYNIKQTVEDEKLRGKISEQDKNKILDKCQEVINWLDRNQMAEKDEYEHKQKELERVCNPIISKLYQGGPGGGSGGGGSGASGGPTIEEVD
  
Inhibitor
Name:
BDBM50617288
Synonyms:
CHEMBL5410116
Type:
Small organic molecule
Emp. Form.:
C20H24N4O2S
Mol. Mass.:
384.51
SMILES:
CC[C@@H](C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1nc(C)c(C)s1 |r|
Structure:
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