Target
Glucose-6-phosphate dehydrogenase
Ligand
BDBM50396486
Substrate
n/a
Meas. Tech.
ChEMBL_862644 (CHEMBL2174117)
IC50
1370±n/a nM
Citation
 Preuss, JMaloney, PPeddibhotla, SHedrick, MPHershberger, PGosalia, PMilewski, MLi, YLSugarman, EHood, BSuyama, ENguyen, KVasile, SSergienko, EMangravita-Novo, AVicchiarelli, MMcAnally, DSmith, LHRoth, GPDiwan, JChung, TDJortzik, ERahlfs, SBecker, KPinkerton, ABBode, L Discovery of a Plasmodium falciparum glucose-6-phosphate dehydrogenase 6-phosphogluconolactonase inhibitor (R,Z)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxamide (ML276) that reduces parasite growth in vitro. J Med Chem 55:7262-72 (2012) [PubMed]  Article 
Target
Name:
Glucose-6-phosphate dehydrogenase
Synonyms:
Glucose-6-phosphate 1-dehydrogenase | PFG6PD
Type:
PROTEIN
Mol. Mass.:
86360.63
Organism:
Plasmodium falciparum
Description:
ChEMBL_862647
Residue:
736
Sequence:
MNNYQNNYIYNEKTLDFINNDQDNDNLKYLKEYVYFTTTNQFDVRKRITVSLNLLANASSKIFLLNSKDKLDLWKNMLIKSYIEVNYNLYPATYLIDTSCTNENVNINNNNNNNNKNKNNYCYSNTTVISCGYENYTKYIEEIYDSKYALSLYSNSLNKEELLTIIIFGCSGDLAKKKIYPALFKLFCNNSLPKDLLIIGFARTVQDFDTFFDKIVIYLKRCLLCYEDWSISKKKDLLNGFKNRCRYFVGNYSSSESFENFNKYLTTIEEEEAKKKYYATCYKMNGSDYNISNNVAEDNISIDDENKTNEYFQMCTPKNCPDNVFSSNYNFPYVINSILYLALPPHIFISTLKKIIKKNCLNSKGTDKILLEKPFGNDLDSFKMLSKQILENFNEQQIYRIDHYLGKDMVSGLLKLKFTNTFLLSLMNRHFIKCIKITLKETKGVYGRGQYFDPYGIIRDVMQNHMLQLLTLITMEDPIDLNDESVKNEKIKILKSIPSIKLEDTIIGQYEKAENFKEDENNDDESKKNHSYHDDPHIDKNSITPTFCTCILYINSINWYGVPIIFKSGKGLNKDICEIRIQFHNIMGSSDENMNNNEFVIILQPVEAIYLKMMIKKTGCEEMEEVQLNLTVNEKNKKINVPEAYETLLLECFKGHKKKFISDEELYESWRIFTPLLKELQEKQVKPLKYSFGSSGPKEVFGLVKKYYNYGKNYTHRPEFVRKSSFYEDDLLDINY
  
Inhibitor
Name:
BDBM50396486
Synonyms:
CHEMBL2171113
Type:
Small organic molecule
Emp. Form.:
C23H24FN3O2S
Mol. Mass.:
425.519
SMILES:
CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1
Structure:
Search PDB for entries with ligand similarity: