Target
Glutathione reductase
Ligand
BDBM50171440
Substrate
n/a
Meas. Tech.
ChEMBL_305846 (CHEMBL829587)
pH
7.4±n/a
IC50
85000±n/a nM
Comments
extracted
Citation
 Seefeldt, TDwivedi, CPeitz, GHerman, JCarlson, LZhang, ZGuan, X 2-Acetylamino-3-[4-(2-acetylamino-2-carboxyethylsulfanylcarbonylamino)- phenylcarbamoylsulfanyl]propionic acid and its derivatives as a novel class of glutathione reductase inhibitors. J Med Chem 48:5224-31 (2005) [PubMed]  Article 
Target
Name:
Glutathione reductase
Synonyms:
GLR1 | GSHR_YEAST
Type:
PROTEIN
Mol. Mass.:
53448.83
Organism:
Saccharomyces cerevisiae
Description:
ChEMBL_700053
Residue:
483
Sequence:
MLSATKQTFRSLQIRTMSTNTKHYDYLVIGGGSGGVASARRAASYGAKTLLVEAKALGGTCVNVGCVPKKVMWYASDLATRVSHANEYGLYQNLPLDKEHLTFNWPEFKQKRDAYVHRLNGIYQKNLEKEKVDVVFGWARFNKDGNVEVQKRDNTTEVYSANHILVATGGKAIFPENIPGFELGTDSDGFFRLEEQPKKVVVVGAGYIGIELAGVFHGLGSETHLVIRGETVLRKFDECIQNTITDHYVKEGINVHKLSKIVKVEKNVETDKLKIHMNDSKSIDDVDELIWTIGRKSHLGMGSENVGIKLNSHDQIIADEYQNTNVPNIYSLGDVVGKVELTPVAIAAGRKLSNRLFGPEKFRNDKLDYENVPSVIFSHPEAGSIGISEKEAIEKYGKENIKVYNSKFTAMYYAMLSEKSPTRYKIVCAGPNEKVVGLHIVGDSSAEILQGFGVAIKMGATKADFDNCVAIHPTSAEELVTMR
  
Inhibitor
Name:
BDBM50171440
Synonyms:
2-Acetylamino-3-{4-[4-(2-acetylamino-2-carboxy-ethylsulfanylcarbonylamino)-benzyl]-phenylcarbamoylsulfanyl}-propionic acid | CHEMBL190205
Type:
Small organic molecule
Emp. Form.:
C25H28N4O8S2
Mol. Mass.:
576.642
SMILES:
CC(=O)NC(CSC(=O)Nc1ccc(Cc2ccc(NC(=O)SCC(NC(C)=O)C(O)=O)cc2)cc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: