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Target
Glutathione S-transferase A1
Ligand
BDBM50186224
Substrate
n/a
Meas. Tech.
ChEMBL_366182 (CHEMBL853397)
IC50
98.9±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:
BDBM50186224
Synonyms:
3-({4-[4-(4-{2-[4-(but-1-en-2-yl)-2,3-dichlorophenoxy]acetamido}butanamido)butanamido]butanamido}methyl)-5-({4-[4-(4-{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamido}butanamido)butanamido]butanamido}methyl)benzamide | CHEMBL216505
Type:
Small organic molecule
Emp. Form.:
C58H75Cl4N9O12
Mol. Mass.:
1232.081
SMILES:
CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCc2cc(CNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(=O)COc3ccc(C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl
Structure:
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