Target
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2
Ligand
BDBM50353386
Substrate
n/a
Meas. Tech.
ChEMBL_768821 (CHEMBL1831803)
IC50
4700±n/a nM
Citation
 Xu, ZTice, CMZhao, WCacatian, SYe, YJSingh, SBLindblom, PMcKeever, BMKrosky, PMKruk, BABerbaum, JHarrison, RKJohnson, JABukhtiyarov, YPanemangalore, RScott, BBZhao, YBruno, JGTogias, JGuo, JGuo, RCarroll, PJMcGeehan, GMZhuang, LHe, WClaremon, DA Structure-based design and synthesis of 1,3-oxazinan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase type 1. J Med Chem 54:6050-62 (2011) [PubMed]  Article 
Target
Name:
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2
Synonyms:
3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II | 3BHS2_HUMAN | HSD3B2 | HSDB3B
Type:
PROTEIN
Mol. Mass.:
42057.22
Organism:
Homo sapiens (Human)
Description:
ChEMBL_768821
Residue:
372
Sequence:
MGWSCLVTGAGGLLGQRIVRLLVEEKELKEIRALDKAFRPELREEFSKLQNRTKLTVLEGDILDEPFLKRACQDVSVVIHTACIIDVFGVTHRESIMNVNVKGTQLLLEACVQASVPVFIYTSSIEVAGPNSYKEIIQNGHEEEPLENTWPTPYPYSKKLAEKAVLAANGWNLKNGDTLYTCALRPTYIYGEGGPFLSASINEALNNNGILSSVGKFSTVNPVYVGNVAWAHILALRALRDPKKAPSVRGQFYYISDDTPHQSYDNLNYILSKEFGLRLDSRWSLPLTLMYWIGFLLEVVSFLLSPIYSYQPPFNRHTVTLSNSVFTFSYKKAQRDLAYKPLYSWEEAKQKTVEWVGSLVDRHKETLKSKTQ
  
Inhibitor
Name:
BDBM50353386
Synonyms:
CHEMBL1829763 | US8592410, 88 | US8592410, Comparator 3 | US8598163, 61
Type:
Small organic molecule
Emp. Form.:
C26H24F3NO3
Mol. Mass.:
455.4689
SMILES:
C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
Structure:
Search PDB for entries with ligand similarity: