Reaction Details Report a problem with these data
Target
Heat shock 70 kDa protein 1A
Ligand
BDBM50617285
Substrate
n/a
Meas. Tech.
ChEMBL_2311414
IC50
>50000±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 70 kDa protein 1A
Synonyms:
HS71A_HUMAN | HSPA1A | HSP72 | HSPA1 | HSX70 | HSP70-1/HSP70-2 | HSP70.1 | Heat Shock 70kDa Protein 1 | Heat shock 70 kDa protein 1A/1B | Hsp70
Type:
Chaperone
Mol. Mass.:
70043.82
Organism:
Human
Description:
n/a
Residue:
641
Sequence:
MAKAAAIGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVALNPQNTVFDAKRLIGRKFGDPVVQSDMKHWPFQVINDGDKPKVQVSYKGETKAFYPEEISSMVLTKMKEIAEAYLGYPVTNAVITVPAYFNDSQRQATKDAGVIAGLNVLRIINEPTAAAIAYGLDRTGKGERNVLIFDLGGGTFDVSILTIDDGIFEVKATAGDTHLGGEDFDNRLVNHFVEEFKRKHKKDISQNKRAVRRLRTACERAKRTLSSSTQASLEIDSLFEGIDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDLVLVGGSTRIPKVQKLLQDFFNGRDLNKSINPDEAVAYGAAVQAAILMGDKSENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFDIDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAKNALESYAFNMKSAVEDEGLKGKISEADKKKVLDKCQEVISWLDANTLAEKDEFEHKRKELEQVCNPIISGLYQGAGGPGPGGFGAQGPKGGSGSGPTIEEVD
  
Inhibitor
Name:
BDBM50617285
Synonyms:
CHEMBL5412223
Type:
Small organic molecule
Emp. Form.:
C12H17NO3S
Mol. Mass.:
255.34
SMILES:
CCOC(=O)[C@@H](NC(=O)c1cccs1)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity: