Reaction Details Report a problem with these data
Target
Glutathione S-transferase A1
Ligand
BDBM50043758
Substrate
n/a
Meas. Tech.
ChEMBL_72446 (CHEMBL682616)
Ki
840.0±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:
BDBM50043758
Synonyms:
2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-hexylsulfanyl-ethylcarbamoyl]-butyric acid | CHEMBL58135
Type:
Small organic molecule
Emp. Form.:
C16H29N3O6S
Mol. Mass.:
391.483
SMILES:
CCCCCCSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
Structure:
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