Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSteroid 5-alpha-reductase
LigandBDBM50039259
Substrate/Competitorn/a
Meas. Tech.ChEMBL_88442
IC50 0.12±n/a nM
Citation Frye, SVHaffner, CDMaloney, PRMook, RADorsey, GFHiner, RNBatchelor, KWBramson, HNStuart, JDSchweiker, SL 6-Azasteroids: potent dual inhibitors of human type 1 and 2 steroid 5 alpha-reductase. J Med Chem36:4313-5 (1994) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Steroid 5-alpha-reductase
Name:Steroid 5-alpha-reductase
Synonyms:3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 5 alpha-SR2 | 5α-Reductase 2 (5α-R2) | SR type 2 | 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:
MQVQCQQSPVLAGSATLVALGALALYVAKPSGYGKHTESLKPAATRLPARAAWFLQELPS
FAVPAGILARQPLSLFGPPGTVLLGLFCVHYFHRTFVYSLLNRGRPYPAILILRGTAFCT
GNGVLQGYYLIYCAEYPDGWYTDIRFSLGVFLFILGMGINIHSDYILRQLRKPGEISYRI
PQGGLFTYVSGANFLGEIIEWIGYALATWSLPALAFAFFSLCFLGLRAFHHHRFYLKMFE
DYPKSRKALIPFIF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50039259
NameBDBM50039259
Synonyms:(1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid [bis-(4-chloro-phenyl)-methyl]-amide | 9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid [bis-(4-chloro-phenyl)-methyl]-amide | CHEMBL412425
TypeSmall organic molecule
Emp. Form.C32H36Cl2N2O2
Mol. Mass.551.546
SMILESC[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |t:7|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a