Reaction Details Report a problem with these data
Target
Glutathione S-transferase A1
Ligand
BDBM50043762
Substrate
n/a
Meas. Tech.
ChEMBL_72446 (CHEMBL682616)
Ki
24300±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 A1
Synonyms:
GST class-alpha member 1 | GST-epsilon | GSTA1 | GSTA1-1 | GSTA1_HUMAN | GTH1 | Glutathione S-transferase (GST) | HA subunit 1
Type:
Enzyme
Mol. Mass.:
25636.31
Organism:
Homo sapiens (Human)
Description:
Glutathione-S-Transferase (GST, N-terminally)
Residue:
222
Sequence:
MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYLMFQQVPMVEIDGMKLVQTRAILNYIASKYNLYGKDIKERALIDMYIEGIADLGEMILLLPVCPPEEKDAKLALIKEKIKNRYFPAFEKVLKSHGQDYLVGNKLSRADIHLVELLYYVEELDSSLISSFPLLKALKTRISNLPTVKKFLQPGSPRKPPMDEKSLEEARKIFRF
  
Inhibitor
Name:
BDBM50043762
Synonyms:
2-Amino-4-{2-benzylsulfanyl-1-[(carboxy-phenyl-methyl)-carbamoyl]-ethylcarbamoyl}-butyric acid | CHEMBL58951
Type:
Small organic molecule
Emp. Form.:
C23H27N3O6S
Mol. Mass.:
473.542
SMILES:
NC(CCC(=O)NC(CSCc1ccccc1)C(=O)NC(C(O)=O)c1ccccc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: