Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSteroid 5-alpha-reductase
LigandBDBM50043607
Substrate/Competitorn/a
Meas. Tech.ChEMBL_88442
IC50 0.04±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:
BDBM50043607
NameBDBM50043607
Synonyms:1-(Adamantane-2-carbonyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one | CHEMBL138173
TypeSmall organic molecule
Emp. Form.C29H41NO2
Mol. Mass.435.6413
SMILESC[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:19.23,27.31,1.0,14.16,wD:25.35,29.32,23.27,t:7,THB:28:27:24:22.29.30,26:27:22:25.24.30,26:25:22:27.28.31,(3.55,-4.37,;3.55,-5.91,;2.22,-5.13,;.87,-5.89,;.85,-7.43,;2.18,-8.22,;2.18,-9.75,;.85,-10.51,;-.48,-9.74,;-1.81,-10.51,;-3.13,-9.74,;-4.47,-10.51,;-3.13,-8.2,;-1.81,-7.43,;-.48,-8.2,;-.48,-6.66,;3.52,-7.47,;4.98,-7.96,;5.91,-6.73,;5.02,-5.47,;5.51,-4,;4.49,-2.85,;7.03,-3.69,;7.68,-2.32,;9.26,-2.41,;10.44,-3.52,;10.04,-2.15,;8.55,-2.06,;7.98,-3.37,;8.24,-4.78,;9.78,-4.88,;7.35,-.8,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a