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Target
Glutathione reductase
Ligand
BDBM50241461
Substrate
n/a
Meas. Tech.
ChEMBL_302908 (CHEMBL876366)
IC50
6400±n/a nM
Citation
 Biot, C; Bauer, H; Schirmer, RH; Davioud-Charvet, E 5-substituted tetrazoles as bioisosteres of carboxylic acids. Bioisosterism and mechanistic studies on glutathione reductase inhibitors as antimalarials. J Med Chem 47:5972-83 (2004) [PubMed]  Article 
Target
Name:
Glutathione reductase
Synonyms:
GR | GR3 | GSHR_PLAF7
Type:
PROTEIN
Mol. Mass.:
56497.89
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_306283
Residue:
500
Sequence:
MVYDLIVIGGGSGGMAAARRAARHNAKVALVEKSRLGGTCVNVGCVPKKIMFNAASVHDILENSRHYGFDTKFSFNLPLLVERRDKYIQRLNNIYRQNLSKDKVDLYEGTASFLSENRILIKGTKDNNNKDNGPLNEEILEGRNILIAVGNKPVFPPVKGIENTISSDEFFNIKESKKIGIVGSGYIAVELINVIKRLGIDSYIFARGNRILRKFDESVINVLENDMKKNNINIVTFADVVEIKKVSDKNLSIHLSDGRIYEHFDHVIYCVGRSPDTENLNLEKLNVETNNNYIVVDENQRTSVNNIYAVGDCCMVKKSKEIEDLNLLKLYNEETYLNKKENVTEDIFYNVQLTPVAINAGRLLADRLFLKKTRKTNYKLIPTVIFSHPPIGTIGLSEEAAIQIYGKENVKIYESKFTNLFFSVYDIEPELKEKTYLKLVCVGKDELIKGLHIIGLNADEIVQGFAVALKMNATKKDFDETIPIHPTAAEEFLTLQPWMK
  
Inhibitor
Name:
BDBM50241461
Synonyms:
3,7-bis(dimethylamino)phenothiazin-5-ium chloride | Basic Blue 9 | CHEMBL405110 | Methylenblau | Methylene Blue anhydrous | Methylene blue | Methylene blue (10) | SAMPL5, CBC-G10 | azul de metileno | bleu de methylene | cid_6099 | methylthioninium chloride
Type:
Small organic molecule
Emp. Form.:
C16H18N3S
Mol. Mass.:
284.399
SMILES:
CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)|
Structure:
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