| Reaction Details |
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 | Report a problem with these data |
| Target | Glutathione S-transferase A1 |
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| Ligand | BDBM50186224 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_366182 (CHEMBL853397) |
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| IC50 | 98.9±n/a nM |
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| 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 Lett16:3780-3 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Glutathione S-transferase A1 |
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| Name: | Glutathione S-transferase A1 |
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| Synonyms: | GST class-alpha member 1 | GST-epsilon | GSTA1 | GSTA1-1 | GSTA1_HUMAN | GTH1 | Glutathione S-transferase (GST) | HA subunit 1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 25636.31 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Glutathione-S-Transferase (GST, N-terminally) |
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| Residue: | 222 |
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| Sequence: | MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYLMFQQVPMVEI
DGMKLVQTRAILNYIASKYNLYGKDIKERALIDMYIEGIADLGEMILLLPVCPPEEKDAK
LALIKEKIKNRYFPAFEKVLKSHGQDYLVGNKLSRADIHLVELLYYVEELDSSLISSFPL
LKALKTRISNLPTVKKFLQPGSPRKPPMDEKSLEEARKIFRF
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| BDBM50186224 |
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| n/a |
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| Name | BDBM50186224 |
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| 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 |
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| Type | Small organic molecule |
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| Emp. Form. | C58H75Cl4N9O12 |
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| Mol. Mass. | 1232.081 |
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| 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 |
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| Structure | 
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