Reaction Details Report a problem with these data
Target
Glutathione S-transferase P
Ligand
BDBM50173728
Substrate
n/a
Meas. Tech.
ChEMBL_320920 (CHEMBL881347)
Ki
1110±n/a nM
Citation
 Procopio, A; Alcaro, S; Cundari, S; De Nino, A; Ortuso, F; Sacchetta, P; Pennelli, A; Sindona, G Molecular modeling, synthesis, and preliminary biological evaluation of glutathione-S-transferase inhibitors as potential therapeutic agents. J Med Chem 48:6084-9 (2005) [PubMed]  Article 
Target
Name:
Glutathione S-transferase P
Synonyms:
FAEES3 | GST class-pi | GST3 | GSTP1 | GSTP1-1 | GSTP1_HUMAN | Glutathione S-transferase | Glutathione S-transferase (GST) | Glutathione S-transferase P | Glutathione S-transferase Pi | Glutathione transferase (GST)
Type:
Enzyme
Mol. Mass.:
23353.53
Organism:
Homo sapiens (Human)
Description:
P09211
Residue:
210
Sequence:
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
  
Inhibitor
Name:
BDBM50173728
Synonyms:
2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(2-hydroxy-1-phenyl-ethylsulfanyl)-ethylcarbamoyl]-butyric acid | CHEMBL196798
Type:
Small organic molecule
Emp. Form.:
C18H25N3O7S
Mol. Mass.:
427.472
SMILES:
NC(CCC(=O)NC(CSC(CO)c1ccccc1)C(=O)NCC(O)=O)C(O)=O
Structure:
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