Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
LigandBDBM50334788
Substrate/Competitorn/a
Meas. Tech.ChEMBL_204723 (CHEMBL807637)
Ki 55±n/a nM
Citation Tian, WZhu, ZLiao, QWu, Y A practical synthesis of 3-substituted delta 3,5(6)-steroids as new potential 5 alpha-reductase inhibitor. Bioorg Med Chem Lett8:1949-52 (1998) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
Name:3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
Synonyms:Steroid 5-alpha-reductase
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 204723
Components:This complex has 2 components.
Component 1
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:
MVPLMELDELCLLDMLVYLEGFMAFVSIVGLRSVGSPYGRYSPQWPGIRVPARPAWFIQE
LPSMAWPLYEYIRPAAARLGNLPNRVLLAMFLIHYVQRTLVFPVLIRGGKPTLLVTFVLA
FLFCTFNGYVQSRYLSQFAVYAEDWVTHPCFLTGFALWLVGMVINIHSDHILRNLRKPGE
TGYKIPRGGLFEYVSAANYFGELVEWCGFALASWSLQGVVFALFTLSTLLTRAKQHHQWY
HEKFEDYPKSRKILIPFVL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:3-oxo-5-alpha-steroid 4-dehydrogenase 2
Synonyms:S5A2_RAT | Srd5a2 | Steroid 5-alpha-reductase | Steroid 5-alpha-reductase 2
Type:PROTEIN
Mol. Mass.:28784.15
Organism:Rattus norvegicus
Description:ChEMBL_205054
Residue:254
Sequence:
MQIVCHQVPVLAGSATLATMGTLILCLGKPASYGKHTESVSSGVPFLPARIAWFLQELPS
FVVSVGMLAWQPRSLFGPPGNVLLALFSAHYFHRTFIYSLLTRGRPFPAVLFLRATAFCI
GNGLLQAYYLVYCAEYPEEWYTDVRFSFGVFLFILGMGINIHSDYTLRQLRKPGEVIYRI
PRGGLFTYVSGANFLGEIIEWIGYALATWSVPAFAFAFFTLCFLGMQAFYHHRFYLKMFK
DYPKSRKALIPFIF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50334788
n/a
NameBDBM50334788
Synonyms:(17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-androst-1-en-3-one | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide | (4aR,4bS,6aS,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide | (4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide | (4aR,6aS,11aR)-4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide | (4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide | (4aR,6aS,7S,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide | (R)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide | 4a,6a,9a-Trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (Finasteride) | 4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide | 4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide(Finasteride) | CHEMBL710 | FINASTERIDE | MK-906 | Propecia | Proscar | US9061023, Finasteride
TypeSmall organic molecule
Emp. Form.C23H36N2O2
Mol. Mass.372.5441
SMILESCC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: