BDBM225232 S-methylglutathione

SMILES CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O

InChI Key InChIKey=QTQDDTSVRVWHMO-BQBZGAKWSA-N

Data  1 KI  3 Kd

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 225232   

TargetLactoylglutathione lyase(Homo sapiens (Human))
Uniroyal Chemical Co., Inc.

Curated by ChEMBL
LigandPNGBDBM225232(S-methylglutathione)
Show SMILES CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
Affinity DataKi:  4.17E+6nMAssay Description:Inhibition constant of compound against binding of Yeast Glyoxalase IMore data for this Ligand-Target Pair
TargetHbpA(Pasteurella multocida)
Ghent University

LigandPNGBDBM225232(S-methylglutathione)
Show SMILES CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
Affinity DataKd:  550nMpH: 7.4 T: 2°CAssay Description:Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...More data for this Ligand-Target Pair
TargetHeme-binding protein A(Actinobacillus pleuropneumoniae)
Ghent University

LigandPNGBDBM225232(S-methylglutathione)
Show SMILES CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
Affinity DataKd:  1.17E+3nMpH: 7.4 T: 2°CAssay Description:Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...More data for this Ligand-Target Pair
TargetHeme-binding protein A(Haemophilus parasuis)
Ghent University

LigandPNGBDBM225232(S-methylglutathione)
Show SMILES CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
Affinity DataKd:  900nMpH: 7.4 T: 2°CAssay Description:Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...More data for this Ligand-Target Pair