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Target
Heat shock 70 kDa protein 1A
Ligand
BDBM31721
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:
BDBM31721
Synonyms:
4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one | 4-[(E)-2-(2-chloro-5-nitro-phenyl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one | 4-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one | 4-[2-(2-chloro-5-nitrophenyl)vinyl]-6-(trifluoromethyl)-2(1H)-pyrimidinone | MLS000530560 | SMR000135540 | cid_5347285
Type:
Small organic molecule
Emp. Form.:
C13H7ClF3N3O3
Mol. Mass.:
345.661
SMILES:
[O-][N+](=O)c1ccc(Cl)c(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)c1 |w:9.8|
Structure:
Search PDB for entries with ligand similarity: