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Target
3-oxo-5-alpha-steroid 4-dehydrogenase 2
Ligand
BDBM50141068
Substrate
n/a
Meas. Tech.
ChEMBL_1549064 (CHEMBL3756857)
IC50
84±n/a nM
Citation
 Aggarwal, S; Mahapatra, MK; Kumar, R; Bhardwaj, TR; Hartmann, RW; Haupenthal, J; Kumar, M Synthesis and biological evaluation of 3-tetrazolo steroidal analogs: Novel class of 5a-reductase inhibitors. Bioorg Med Chem 24:779-88 (2016) [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:
MQVQCQQSPVLAGSATLVALGALALYVAKPSGYGKHTESLKPAATRLPARAAWFLQELPSFAVPAGILARQPLSLFGPPGTVLLGLFCLHYFHRTFVYSLLNRGRPYPAILILRGTAFCTGNGVLQGYYLIYCAEYPDGWYTDIRFSLGVFLFILGMGINIHSDYILRQLRKPGEISYRIPQGGLFTYVSGANFLGEIIEWIGYALATWSLPALAFAFFSLCFLGLRAFHHHRFYLKMFEDYPKSRKALIPFIF
  
Inhibitor
Name:
BDBM50141068
Synonyms:
CHEMBL3754525
Type:
Small organic molecule
Emp. Form.:
C20H26N4O
Mol. Mass.:
338.4466
SMILES:
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C=C(CC[C@]12C)c1nnn[nH]1 |r,c:19,t:17|
Structure:
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