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Target
Glucose-6-phosphate 1-dehydrogenase
Ligand
BDBM50593540
Substrate
n/a
Meas. Tech.
ChEMBL_2208955 (CHEMBL5121904)
IC50
600±n/a nM
Citation
 Koperniku, A; Garcia, AA; Mochly-Rosen, D Boosting the Discovery of Small Molecule Inhibitors of Glucose-6-Phosphate Dehydrogenase for the Treatment of Cancer, Infectious Diseases, and Inflammation. J Med Chem 65:4403-4423 (2022) [PubMed] 
Target
Name:
Glucose-6-phosphate 1-dehydrogenase
Synonyms:
G6PD | G6PD_HUMAN | Glucose 6-phosphate dehydrogenase (G6PD) | Glucose-6-phosphate 1-dehydrogenase | glucose-6-phosphate 1-dehydrogenase isoform b
Type:
Enzyme
Mol. Mass.:
59258.58
Organism:
Homo sapiens (Human)
Description:
P11413
Residue:
515
Sequence:
MAEQVALSRTQVCGILREELFQGDAFHQSDTHIFIIMGASGDLAKKKIYPTIWWLFRDGLLPENTFIVGYARSRLTVADIRKQSEPFFKATPEEKLKLEDFFARNSYVAGQYDDAASYQRLNSHMNALHLGSQANRLFYLALPPTVYEAVTKNIHESCMSQIGWNRIIVEKPFGRDLQSSDRLSNHISSLFREDQIYRIDHYLGKEMVQNLMVLRFANRIFGPIWNRDNIACVILTFKEPFGTEGRGGYFDEFGIIRDVMQNHLLQMLCLVAMEKPASTNSDDVRDEKVKVLKCISEVQANNVVLGQYVGNPDGEGEATKGYLDDPTVPRGSTTATFAAVVLYVENERWDGVPFILRCGKALNERKAEVRLQFHDVAGDIFHQQCKRNELVIRVQPNEAVYTKMMTKKPGMFFNPEESELDLTYGNRYKNVKLPDAYERLILDVFCGSQMHFVRSDELREAWRIFTPLLHQIELEKPKPIPYIYGSRGPTEADELMKRVGFQYEGTYKWVNPHKL
  
Inhibitor
Name:
BDBM50593540
Synonyms:
CHEMBL5207151
Type:
Small organic molecule
Emp. Form.:
C23H20ClN3O4S
Mol. Mass.:
469.941
SMILES:
COc1cc(\C=C2\C(C)=NN(C2=O)c2nc(cs2)-c2ccc(Cl)cc2)cc(OC)c1OC |c:8|
Structure:
Search PDB for entries with ligand similarity: