| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase |
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| Ligand | BDBM50396489 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1731851 (CHEMBL4147387) |
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| IC50 | 900±n/a nM |
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| 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 Chem146:108-122 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase |
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| Name: | Bifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonase |
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| Synonyms: | 6-phosphogluconolactonase | 6PGL | G6PD | GLUPH_PLAF7 | GluPho | Glucose-6-phosphate 1-dehydrogenase | PfGluPho |
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| Type: | PROTEIN |
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| Mol. Mass.: | 106988.99 |
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| Organism: | Plasmodium falciparum (isolate 3D7) |
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| Description: | ChEMBL_117865 |
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| Residue: | 910 |
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| Sequence: | MDYENFVKSAEEINNLHNVNYLETKDLNDFNWKAAYYICKEIYDKQQINKDGYVVIGLSG
GRTPIDVYKNMCLIKDIKIDKSKLIFFIIDERYKSDDHKFSNYNNIKFLFHNLNINEKEQ
LYKPDTTKSIVDCILDYNDKIKIMIEKYKKVDIAILGMGSDFHIASLFPNIFYNIYMNNY
QNNYIYNEKTLDFINNDQDNDNLKYLKEYVYFTTTNQFDVRKRITVSLNLLANASSKIFL
LNSKDKLDLWKNMLIKSYIEVNYNLYPATYLIDTSCTNENVNINNNNNNNNKNKNNYCYS
NTTVISCGYENYTKSIEEIYDSKYALSLYSNSLNKEELLTIIIFGCSGDLAKKKIYPALF
KLFCNNSLPKDLLIIGFARTVQDFDTFFDKIVIYLKRCLLCYEDWSISKKKDLLNGFKNR
CRYFVGNYSSSESFENFNKYLTTIEEEEAKKKYYATCYKMNGSDYNISNNVAEDNISIDD
ENKTNEYFQMCTPKNCPDNVFSSNYNFPYVINRMLYLALPPHIFVSTLKNYKKNCLNSKG
TDKILLEKPFGNDLDSFKMLSKQILENFNEQQIYRIDHYLGKDMVSGLLKLKFTNTFLLS
LMNRHFIKCIKITLKETKGVYGRGQYFDPYGIIRDVMQNHMLQLLTLITMEDPIDLNDES
VKNEKIKILKSIPSIKLEDTIIGQYEKAENFKEDENNDDESKKNHSYHDDPHIDKNSITP
TFCTCILYINSINWYGVPIIFKSGKGLNKDICEIRIQFHNIMGSSDENMNNNEFVIILQP
VEAIYLKMMIKKTGCEEMEEVQLNLTVNEKNKKINVPEAYETLLLECFKGHKKKFISDEE
LYESWRIFTPLLKELQEKQVKPLKYSFGSSGPKEVFGLVKKYYNYGKNYTHRPEFVRKSS
FYEDDLLDIN
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| BDBM50396489 |
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| n/a |
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| Name | BDBM50396489 |
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| Synonyms: | CHEMBL2170943 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H24FN3O2S |
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| Mol. Mass. | 425.519 |
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| SMILES | CCN1CCC[C@@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 |r| |
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| Structure | 
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