In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2005 | 26 | No |
Popular Name: S-hexylglutathione S-hexylglutathione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 24425-56-7 , 53-19-0 , [53-19-0]
1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane
24425-56-7; C02886; S-Hexyl-L-glutathione; S-Hexyl-glutathione
CHEBI:43014; CHEBI:22051; CHEBI:8960
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -2.99 | -5.94 | -91.78 | 5 | 9 | -1 | 166 | 390.482 | 15 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
UniProt Database Links | GST1D_ANOGA; GST_PLAFA | ChEBI |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
GSTA1-1-E | Glutathione S-transferase A1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 840 | 0.33 | Binding ≤ 10μM |
GSTM1-1-E | Glutathione S-transferase Mu 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.31 | Binding ≤ 10μM |
GSTP1-1-E | Glutathione S-transferase Pi (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.27 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
GSTA1_HUMAN | P08263 | Glutathione S-transferase A1, Human | 840 | 0.33 | Binding ≤ 1μM |
GSTA1_HUMAN | P08263 | Glutathione S-transferase A1, Human | 840 | 0.33 | Binding ≤ 10μM |
GSTM1_HUMAN | P09488 | Glutathione S-transferase Mu 1, Human | 2000 | 0.31 | Binding ≤ 10μM |
GSTP1_HUMAN | P09211 | Glutathione S-transferase Pi, Human | 10000 | 0.27 | Binding ≤ 10μM |
Description | Species |
---|---|
Detoxification of Reactive Oxygen Species | |
Glutathione conjugation |