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Target
Glucose-6-phosphate dehydrogenase
Ligand
BDBM70014
Substrate
n/a
Meas. Tech.
ChEMBL_862647 (CHEMBL2174120)
IC50
9300±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:
BDBM70014
Synonyms:
(2Z)-2-benzal-3-keto-N-(3-pyrrolidinopropyl)-4H-1,4-benzothiazine-6-carboxamide | (2Z)-2-benzylidene-3-oxo-N-(3-pyrrolidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide | (2Z)-3-oxidanylidene-2-(phenylmethylidene)-N-(3-pyrrolidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide | (2Z)-3-oxo-2-(phenylmethylene)-N-[3-(1-pyrrolidinyl)propyl]-4H-1,4-benzothiazine-6-carboxamide | MLS001030711 | SMR000635244 | cid_24792850
Type:
Small organic molecule
Emp. Form.:
C23H25N3O2S
Mol. Mass.:
407.529
SMILES:
O=C(NCCCN1CCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Structure:
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