Reaction Details Report a problem with these data
Target
Heat shock 70 kDa protein 1A
Ligand
BDBM31697
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:
BDBM31697
Synonyms:
4-[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide | 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-butanamide | 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide | 4-keto-4-[4-[2-(4-methylphenoxy)ethyl]piperazino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butyramide | MLS000082798 | SMR000059830 | cid_663757
Type:
Small organic molecule
Emp. Form.:
C20H27N5O3S
Mol. Mass.:
417.525
SMILES:
Cc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1
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