Reaction Details Report a problem with these data
Target
3-oxo-5-alpha-steroid 4-dehydrogenase 2
Ligand
BDBM50093590
Substrate
n/a
Meas. Tech.
ChEMBL_204910 (CHEMBL809545)
IC50
300±n/a nM
Citation
 Hartmann, RW; Hector, M; Haidar, S; Ehmer, PB; Reichert, W; Jose, J Synthesis and evaluation of novel steroidal oxime inhibitors of P450 17 (17 alpha-hydroxylase/C17-20-lyase) and 5 alpha-reductase types 1 and 2. J Med Chem 43:4266-77 (2000) [PubMed]  Article 
Target
Name:
3-oxo-5-alpha-steroid 4-dehydrogenase 2
Synonyms:
3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 5 alpha-SR2 | 5α-Reductase 2 (5α-R2) | S5A2_HUMAN | SR type 2 | SRD5A2 | Steroid 5-alpha-reductase | Steroid 5-alpha-reductase 2 | Type II 5-alpha reductase
Type:
Enzyme
Mol. Mass.:
28406.59
Organism:
Homo sapiens (Human)
Description:
P31213
Residue:
254
Sequence:
MQVQCQQSPVLAGSATLVALGALALYVAKPSGYGKHTESLKPAATRLPARAAWFLQELPSFAVPAGILARQPLSLFGPPGTVLLGLFCVHYFHRTFVYSLLNRGRPYPAILILRGTAFCTGNGVLQGYYLIYCAEYPDGWYTDIRFSLGVFLFILGMGINIHSDYILRQLRKPGEISYRIPQGGLFTYVSGANFLGEIIEWIGYALATWSLPALAFAFFSLCFLGLRAFHHHRFYLKMFEDYPKSRKALIPFIF
  
Inhibitor
Name:
BDBM50093590
Synonyms:
(10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-acetaldehyde oxime | CHEMBL135993
Type:
Small organic molecule
Emp. Form.:
C21H31NO2
Mol. Mass.:
329.4763
SMILES:
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2CCN=O |t:8|
Structure:
Search PDB for entries with ligand similarity: