Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target5α-Reductase 1 (5α-R1)
LigandBDBM50031886
Substrate/Competitorn/a
Meas. Tech.ChEMBL_204883
Ki 4.6±n/a nM
Citation Frye, SVHaffner, CDMaloney, PRHiner, RNDorsey, GFNoe, RAUnwalla, RJBatchelor, KWBramson, HNStuart, JD 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 by 6-azaandrost-4-en-3-ones: optimization of the C17 substituent. J Med Chem38:2621-7 (1995) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
5α-Reductase 1 (5α-R1)
Name:Steroid 5-alpha-reductase
Synonyms:3-oxo-5-alpha-steroid 4-dehydrogenase 1 | S5AR | SR type 1 | Steroid 5-alpha-reductase | Steroid 5-alpha-reductase 1
Type:Enzyme
Mol. Mass.:29472.80
Organism:Homo sapiens (Human)
Description:P18405
Residue:259
Sequence:
MATATGVAEERLLAALAYLQCAVGCAVFARNRQTNSVYGRHALPSHRLRVPARAAWVVQE
LPSLALPLYQYASESAPRLRSAPNCILLAMFLVHYGHRCLIYPFLMRGGKPMPLLACTMA
IMFCTCNGYLQSRYLSHCAVYADDWVTDPRFLIGFGLWLTGMLINIHSDHILRNLRKPGD
TGYKIPRGGLFEYVTAANYFGEIMEWCGYALASWSVQGAAFAFFTFCFLSGRAKEHHEWY
LRKFEEYPKFRKIIIPFLF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50031886
NameBDBM50031886
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 (4-tert-butyl-biphenyl-3-yl)-amide | CHEMBL87082
TypeSmall organic molecule
Emp. Form.C35H44N2O2
Mol. Mass.524.7361
SMILESCC(C)(C)c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)-c1ccccc1 |t:20|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a