Reaction Details  Report a problem with these data
Target
Heat shock 70 kDa protein 1A
Ligand
BDBM31689
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:
BDBM31689
Synonyms:
1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]carbonitrile | 1'-acetyl-6-amino-3-methyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile | 1'-acetyl-6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile | 6-azanyl-1'-ethanoyl-3-methyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile | MLS000034955 | SMR000014520 | cid_645612
Type:
Small organic molecule
Emp. Form.:
C14H17N5O2
Mol. Mass.:
287.3171
SMILES:
CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1n[nH]c(C)c21
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