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Target
3-oxo-5-alpha-steroid 4-dehydrogenase 1
Ligand
BDBM50187243
Substrate
n/a
Meas. Tech.
ChEMBL_1449353 (CHEMBL3372081)
IC50
960000±n/a nM
Citation
 Srivilai, J; Khorana, N; Waranuch, N; Suphrom, N; Ingkaninan, K Conformational analysis of an anti-androgenic, (E,E)-8-hydroxygermacrene B, using NOESY and dynamic NMR spectroscopy. Bioorg Med Chem Lett 24:3526-9 (2014) [PubMed]  Article 
Target
Name:
3-oxo-5-alpha-steroid 4-dehydrogenase 1
Synonyms:
S5A1_RAT | Srd5a1 | Steroid 5-alpha-reductase | Steroid 5-alpha-reductase 1
Type:
PROTEIN
Mol. Mass.:
29788.29
Organism:
Rattus norvegicus
Description:
ChEMBL_1441437
Residue:
259
Sequence:
MVPLMELDELCLLDMLVYLEGFMAFVSIVGLRSVGSPYGRYSPQWPGIRVPARPAWFIQELPSMAWPLYEYIRPAAARLGNLPNRVLLAMFLIHYVQRTLVFPVLIRGGKPTLLVTFVLAFLFCTFNGYVQSRYLSQFAVYAEDWVTHPCFLTGFALWLVGMVINIHSDHILRNLRKPGETGYKIPRGGLFEYVSAANYFGELVEWCGFALASWSLQGVVFALFTLSTLLTRAKQHHQWYHEKFEDYPKSRKILIPFVL
  
Inhibitor
Name:
BDBM50187243
Synonyms:
17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestradiol | 17-ethinylestradiol | 17alpha-Ethinyl estradiol | 17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol | 17alpha-ethynylestradiol | CHEMBL691 | ETHINYL ESTRADIOL | Ethinylestradiol | Ethynyl estradiol | ethinyloestradiol
Type:
Small organic molecule
Emp. Form.:
C20H24O2
Mol. Mass.:
296.4034
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C |r|
Structure:
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