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Target
Thioredoxin glutathione reductase
Ligand
BDBM54510
Substrate
n/a
Meas. Tech.
ChEMBL_2103008 (CHEMBL4811511)
IC50
210±n/a nM
Citation
 Dziwornu, GA; Attram, HD; Gachuhi, S; Chibale, K Chemotherapy for human schistosomiasis: how far have we come? What's new? Where do we go from here? RSC Med Chem 11:455-490 (2020) [PubMed]  Article 
Target
Name:
Thioredoxin glutathione reductase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
64881.48
Organism:
Schistosoma mansoni
Description:
ChEMBL_1455608
Residue:
597
Sequence:
MPPADGTSQWLRKTVDSAAVILFSKTTCPYCKKVKDVLAEAKIKHATIELDQLSNGSAIQKCLASFSKIETVPQMFVRGKFIGDSQTVLKYYSNDELAGIVNESKYDYDLIVIGGGSGGLAAGKEAAKYGAKTAVLDYVEPTPIGTTWGLGGTCVNVGCIPKKLMHQAGLLSHALEDAEHFGWSLDRSKISHNWSTMVEGVQSHIGSLNWGYKVALRDNQVTYLNAKGRLISPHEVQITDKNQKVSTITGNKIILATGERPKYPEIPGAVEYGITSDDLFSLPYFPGKTLVIGASYVALECAGFLASLGGDVTVMVRSILLRGFDQQMAEKVGDYMENHGVKFAKLCVPDEIKQLKVVDTENNKPGLLLVKGHYTDGKKFEEEFETVIFAVGREPQLSKVLCETVGVKLDKNGRVVCTDDEQTTVSNVYAIGDINAGKPQLTPVAIQAGRYLARRLFAGATELTDYSNVATTVFTPLEYGACGLSEEDAIEKYGDKDIEVYHSNFKPLEWTVAHREDNVCYMKLVCRKSDNMRVLGLHVLGPNAGEITQGYAVAIKMGATKADFDRTIGIHPTCSETFTTLHVTKKSGVSPIVSGCG
  
Inhibitor
Name:
BDBM54510
Synonyms:
5-chloranyl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-methylsulfonyl-pyrimidine-4-carboxamide | 5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-mesyl-pyrimidine-4-carboxamide | 5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-methylsulfonyl-4-pyrimidinecarboxamide | 5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-methylsulfonylpyrimidine-4-carboxamide | MLS001116357 | SMR000625580 | cid_16012863
Type:
Small organic molecule
Emp. Form.:
C20H19ClN4O5S2
Mol. Mass.:
494.972
SMILES:
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: