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Target
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase
Ligand
BDBM50292581
Substrate
n/a
Meas. Tech.
ChEMBL_1731851 (CHEMBL4147387)
IC50
190±n/a nM
Citation
 Alencar, N; Sola, I; Linares, M; Juárez-Jiménez, J; Pont, C; Viayna, A; Vílchez, D; Sampedro, C; Abad, P; Pérez-Benavente, S; Lameira, J; Bautista, JM; Muñoz-Torrero, D; Luque, FJ First homology model of Plasmodium falciparum glucose-6-phosphate dehydrogenase: Discovery of selective substrate analog-based inhibitors as novel antimalarial agents. Eur J Med Chem 146:108-122 (2018) [PubMed]  Article 
Target
Name:
Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase
Synonyms:
6-phosphogluconolactonase | 6PGL | G6PD | GLUPH_PLAF7 | GluPho | Glucose-6-phosphate 1-dehydrogenase | PfGluPho
Type:
PROTEIN
Mol. Mass.:
106988.99
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_117865
Residue:
910
Sequence:
MDYENFVKSAEEINNLHNVNYLETKDLNDFNWKAAYYICKEIYDKQQINKDGYVVIGLSGGRTPIDVYKNMCLIKDIKIDKSKLIFFIIDERYKSDDHKFSNYNNIKFLFHNLNINEKEQLYKPDTTKSIVDCILDYNDKIKIMIEKYKKVDIAILGMGSDFHIASLFPNIFYNIYMNNYQNNYIYNEKTLDFINNDQDNDNLKYLKEYVYFTTTNQFDVRKRITVSLNLLANASSKIFLLNSKDKLDLWKNMLIKSYIEVNYNLYPATYLIDTSCTNENVNINNNNNNNNKNKNNYCYSNTTVISCGYENYTKSIEEIYDSKYALSLYSNSLNKEELLTIIIFGCSGDLAKKKIYPALFKLFCNNSLPKDLLIIGFARTVQDFDTFFDKIVIYLKRCLLCYEDWSISKKKDLLNGFKNRCRYFVGNYSSSESFENFNKYLTTIEEEEAKKKYYATCYKMNGSDYNISNNVAEDNISIDDENKTNEYFQMCTPKNCPDNVFSSNYNFPYVINRMLYLALPPHIFVSTLKNYKKNCLNSKGTDKILLEKPFGNDLDSFKMLSKQILENFNEQQIYRIDHYLGKDMVSGLLKLKFTNTFLLSLMNRHFIKCIKITLKETKGVYGRGQYFDPYGIIRDVMQNHMLQLLTLITMEDPIDLNDESVKNEKIKILKSIPSIKLEDTIIGQYEKAENFKEDENNDDESKKNHSYHDDPHIDKNSITPTFCTCILYINSINWYGVPIIFKSGKGLNKDICEIRIQFHNIMGSSDENMNNNEFVIILQPVEAIYLKMMIKKTGCEEMEEVQLNLTVNEKNKKINVPEAYETLLLECFKGHKKKFISDEELYESWRIFTPLLKELQEKQVKPLKYSFGSSGPKEVFGLVKKYYNYGKNYTHRPEFVRKSSFYEDDLLDIN
  
Inhibitor
Name:
BDBM50292581
Synonyms:
CHEMBL4165870
Type:
Small organic molecule
Emp. Form.:
C22H25N3O2S
Mol. Mass.:
395.518
SMILES:
CCN1CCC[C@@H]1CNC(=O)c1ccc2Sc3c(C)cccc3C(=O)Nc2c1 |r|
Structure:
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