Reaction Details Report a problem with these data
Target
Heat shock 70 kDa protein 1A
Ligand
BDBM31720
Substrate
Fluorescein-12-ATP
Meas. Tech.
High Throughput Screening Assay for Hsp70 Inhibitors
pH
7±n/a
Temperature
296.15±n/a K
IC50
100000±n/a nM
Citation
 PubChem, PC High Throughput Screening Assay for Hsp70 Inhibitors 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:
BDBM31720
Synonyms:
(E)-1-(4-Chloro-phenyl)-4,4,4-trifluoro-3-(2-hydroxy-ethylamino)-but-2-en-1-one | (E)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-(2-hydroxyethylamino)-2-buten-1-one | (E)-1-(4-chlorophenyl)-4,4,4-trifluoro-3-(2-hydroxyethylamino)but-2-en-1-one | (E)-1-(4-chlorophenyl)-4,4,4-tris(fluoranyl)-3-(2-hydroxyethylamino)but-2-en-1-one | MLS000554262 | SMR000146579 | cid_5290338
Type:
Small organic molecule
Emp. Form.:
C12H11ClF3NO2
Mol. Mass.:
293.669
SMILES:
OCCN=C(CC(=O)c1ccc(Cl)cc1)C(F)(F)F |w:3.2|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorescein-12-ATP
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
358.43
Organism:
n/a
Description:
n/a
Residue:
3
Sequence:
NA