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BDBM50422268 GLUTATHIONE::GSH

SMILES: N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O

InChI Key: InChIKey=RWSXRVCMGQZWBV-WDSKDSINSA-N

Data: 1 KI  1 IC50  3 Kd

PDB links: 398 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50422268   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glyoxalase I


(Homo sapiens (Human))
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
PDB

UniProtKB/SwissProt

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CHEBI
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KEGG
MMDB
PC cid
PC sid
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Article
PubMed
1.05E+12n/an/an/an/an/an/an/an/a



Uniroyal Chemical Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition constant of compound against binding of Yeast Glyoxalase I


J Med Chem 31: 1396-406 (1988)


Article DOI: 10.1021/jm00402a025
BindingDB Entry DOI: 10.7270/Q2P55QQJ
More data for this
Ligand-Target Pair
Glutathione-binding protein (GbpAHp)


(Haemophilus parasuis)
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
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KEGG
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UniChem

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Article
PubMed
n/an/an/a 1.90E+3n/an/an/a7.437



Ghent University



Assay Description
Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...


BMC Biochem 12: 59 (2011)


Article DOI: 10.1186/1471-2091-12-59
BindingDB Entry DOI: 10.7270/Q2B27T57
More data for this
Ligand-Target Pair
Glutathione S-transferase kappa 1


(Homo sapiens (Human))
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEBI
DrugBank
KEGG
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PC sid
PDB
UniChem

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DrugBank
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Université Sidi Mohamed Ben Abdellah

Curated by ChEMBL


Assay Description
Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.


J Med Chem 41: 2278-88 (1998)


Article DOI: 10.1021/jm970518m
BindingDB Entry DOI: 10.7270/Q2154G56
More data for this
Ligand-Target Pair
Glutathione-binding protein (GbpAAp)


(Actinobacillus pleuropneumoniae)
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
PDB

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CHEBI
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Article
PubMed
n/an/an/a 1.58E+3n/an/an/a7.437



Ghent University



Assay Description
Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...


BMC Biochem 12: 59 (2011)


Article DOI: 10.1186/1471-2091-12-59
BindingDB Entry DOI: 10.7270/Q2B27T57
More data for this
Ligand-Target Pair
Glutathione-binding protein (GbpAPm)


(Pasteurella multocida)
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 260n/an/an/a7.437



Ghent University



Assay Description
Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...


BMC Biochem 12: 59 (2011)


Article DOI: 10.1186/1471-2091-12-59
BindingDB Entry DOI: 10.7270/Q2B27T57
More data for this
Ligand-Target Pair