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Target
Glutathione S-transferase A1
Ligand
BDBM50186227
Substrate
n/a
Meas. Tech.
ChEMBL_366182 (CHEMBL853397)
IC50
52.1±n/a nM
Citation
 Maeda, DY; Mahajan, SS; Atkins, WM; Zebala, JA Bivalent inhibitors of glutathione S-transferase: the effect of spacer length on isozyme selectivity. Bioorg Med Chem Lett 16:3780-3 (2006) [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:
BDBM50186227
Synonyms:
3-((8-(2-(2,3-dichloro-4-(1-hydroxy-2-methylenebutyl)phenoxy)acetamido)octanamido)methyl)-5-((9-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phenoxy)acetamido)nonanamido)methyl)benzamide | CHEMBL379437
Type:
Small organic molecule
Emp. Form.:
C52H67Cl4N5O9
Mol. Mass.:
1047.928
SMILES:
CCC(=C)C(O)c1ccc(OCC(=O)NCCCCCCCC(=O)NCc2cc(CNC(=O)CCCCCCCCNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Structure:
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