Reaction Details Report a problem with these data
Target
Heat shock 70 kDa protein 1A
Ligand
BDBM31692
Substrate
n/a
Meas. Tech.
TR-FRET secondary assay for HTS discovery of chemical inhibitors of Hsp70
IC50
>100000±0 nM
Citation
 PubChem, PC TR-FRET secondary assay for HTS discovery of chemical inhibitors of Hsp70 PubChem Bioassay (2008)[AID] 
Target
Name:
Heat shock 70 kDa protein 1A
Synonyms:
HSPA1A | Heat Shock 70kDa Protein 1 | V9GZ37_HUMAN | heat shock 70kDa protein 1A
Type:
ATP-binding protein
Mol. Mass.:
51937.99
Organism:
Homo sapiens (Human)
Description:
gi_123271505; GST-tagged ATPase domain
Residue:
476
Sequence:
MAKAAAIGIDLGTTYSCVGVFQHGKGERNVLIFDLGGGTFDVSILTIDDGIFEVKATAGDTHLGGEDFDNRLVNHFVEEFKRKHKKDISQNKRAVRRLRTACERAKRTLSSSTQASLEIDSLFEGIDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDLVLVGGSTRIPKVQKLLQDFFNGRDLNKSINPDEAVAYGAAVQAAILMGDKSENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFDIDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAKNALESYAFNMKSAVEDEGLKGKISEADKKKVLDKCQEVISWLDANTLAEKDEFEHKRKELEQVCNPIISGLYQGAGGPGPGGFGAQGPKGGSGSGPTIEEVD
  
Inhibitor
Name:
BDBM31692
Synonyms:
4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-quinolin-6-yl-methyl]thiomorpholine | 4-[(1-tert-butyl-5-tetrazolyl)-(6-quinolinyl)methyl]thiomorpholine | 4-[(1-tert-butyltetrazol-5-yl)-(6-quinolyl)methyl]thiomorpholine | 4-[(1-tert-butyltetrazol-5-yl)-quinolin-6-ylmethyl]thiomorpholine | 6-[(1-tert-Butyl-1H-tetrazol-5-yl)-thiomorpholin-4-yl-methyl]-quinoline | MLS000075443 | SMR000003972 | cid_651602
Type:
Small organic molecule
Emp. Form.:
C19H24N6S
Mol. Mass.:
368.499
SMILES:
CC(C)(C)n1nnnc1C(N1CCSCC1)c1ccc2ncccc2c1
Structure:
Search PDB for entries with ligand similarity: