Reaction Details Report a problem with these data
Target
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
Ligand
BDBM50216092
Substrate
n/a
Meas. Tech.
ChEMBL_204723 (CHEMBL807637)
Ki
46±n/a nM
Citation
 Tian, W; Zhu, Z; Liao, Q; Wu, Y A practical synthesis of 3-substituted delta 3,5(6)-steroids as new potential 5 alpha-reductase inhibitor. Bioorg Med Chem Lett 8:1949-52 (1998) [PubMed]  Article 
Target
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:
MVPLMELDELCLLDMLVYLEGFMAFVSIVGLRSVGSPYGRYSPQWPGIRVPARPAWFIQELPSMAWPLYEYIRPAAARLGNLPNRVLLAMFLIHYVQRTLVFPVLIRGGKPTLLVTFVLAFLFCTFNGYVQSRYLSQFAVYAEDWVTHPCFLTGFALWLVGMVINIHSDHILRNLRKPGETGYKIPRGGLFEYVSAANYFGELVEWCGFALASWSLQGVVFALFTLSTLLTRAKQHHQWYHEKFEDYPKSRKILIPFVL
  
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:
MQIVCHQVPVLAGSATLATMGTLILCLGKPASYGKHTESVSSGVPFLPARIAWFLQELPSFVVSVGMLAWQPRSLFGPPGNVLLALFSAHYFHRTFIYSLLTRGRPFPAVLFLRATAFCIGNGLLQAYYLVYCAEYPEEWYTDVRFSFGVFLFILGMGINIHSDYTLRQLRKPGEVIYRIPRGGLFTYVSGANFLGEIIEWIGYALATWSVPAFAFAFFTLCFLGMQAFYHHRFYLKMFKDYPKSRKALIPFIF
  
Inhibitor
Name:
BDBM50216092
Synonyms:
CHEMBL57922
Type:
Small organic molecule
Emp. Form.:
C32H41NO
Mol. Mass.:
455.674
SMILES:
CC(C)(C)NC(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@]4(C)C3CC[C@]12C)C#Cc1ccccc1 |c:15,t:13|
Structure:
Search PDB for entries with ligand similarity: