Reaction Details Report a problem with these data
Target
3-oxo-5-alpha-steroid 4-dehydrogenase 2
Ligand
BDBM50039288
Substrate
n/a
Meas. Tech.
ChEMBL_202883 (CHEMBL810001)
IC50
0.20±n/a nM
Citation
 Frye, SV; Haffner, CD; Maloney, PR; Mook, RA; Dorsey, GF; Hiner, RN; Cribbs, CM; Wheeler, TN; Ray, JA; Andrews, RC 6-Azasteroids: structure-activity relationships for inhibition of type 1 and 2 human 5 alpha-reductase and human adrenal 3 beta-hydroxy-delta 5-steroid dehydrogenase/3-keto-delta 5-steroid isomerase. J Med Chem 37:2352-60 (1994) [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:
BDBM50039288
Synonyms:
(1S,9aR,11aS)-5,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid benzhydryl-amide | CHEMBL306554
Type:
Small organic molecule
Emp. Form.:
C33H40N2O2
Mol. Mass.:
496.6829
SMILES:
CN1CC2C3CC[C@H](C(=O)NC(c4ccccc4)c4ccccc4)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 |t:39|
Structure:
Search PDB for entries with ligand similarity: