Reaction Details Report a problem with these data
Target
Glucose-6-phosphate 1-dehydrogenase
Ligand
BDBM50545748
Substrate
n/a
Meas. Tech.
ChEMBL_1996312 (CHEMBL4630207)
IC50
>40000±n/a nM
Citation
 Fredo Naciuk, F; do Nascimento Faria, J; Gonçalves Eufrásio, A; Torres Cordeiro, A; Bruder, M Development of Selective Steroid Inhibitors for the Glucose-6-phosphate Dehydrogenase from  ACS Med Chem Lett 11:1250-1256 (2020) [PubMed]  Article 
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:
BDBM50545748
Synonyms:
CHEMBL4642042
Type:
Small organic molecule
Emp. Form.:
C27H46N2O3
Mol. Mass.:
446.6657
SMILES:
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](CC[C@]12C)OC[C@H](O)CN1CCN(C)CC1 |r|
Structure:
Search PDB for entries with ligand similarity: