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Target
Glucose-6-phosphate dehydrogenase
Ligand
BDBM50396499
Substrate
n/a
Meas. Tech.
ChEMBL_862644 (CHEMBL2174117)
IC50
8800±n/a nM
Citation
 Preuss, J; Maloney, P; Peddibhotla, S; Hedrick, MP; Hershberger, P; Gosalia, P; Milewski, M; Li, YL; Sugarman, E; Hood, B; Suyama, E; Nguyen, K; Vasile, S; Sergienko, E; Mangravita-Novo, A; Vicchiarelli, M; McAnally, D; Smith, LH; Roth, GP; Diwan, J; Chung, TD; Jortzik, E; Rahlfs, S; Becker, K; Pinkerton, AB; Bode, 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:
BDBM50396499
Synonyms:
CHEMBL2170915
Type:
Small organic molecule
Emp. Form.:
C23H25N3O2S
Mol. Mass.:
407.529
SMILES:
Cc1cccc(\C=C2/Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCC2)c1
Structure:
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