Reaction Details Report a problem with these data
Target
Glutathione S-transferase P
Ligand
BDBM50043763
Substrate
n/a
Meas. Tech.
ChEMBL_72451 (CHEMBL686006)
Ki
40000±n/a nM
Citation
 Lyttle, MH; Hocker, MD; Hui, HC; Caldwell, CG; Aaron, DT; Engqvist-Goldstein, A; Flatgaard, JE; Bauer, KE Isozyme-specific glutathione-S-transferase inhibitors: design and synthesis. J Med Chem 37:189-94 (1994) [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:
BDBM50043763
Synonyms:
2-Amino-4-[1-(2-carboxy-ethylcarbamoyl)-2-(4-methyl-benzylsulfanyl)-ethylcarbamoyl]-butyric acid | CHEMBL301229
Type:
Small organic molecule
Emp. Form.:
C19H27N3O6S
Mol. Mass.:
425.499
SMILES:
Cc1ccc(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: