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Target
3-oxo-5-alpha-steroid 4-dehydrogenase 1
Ligand
BDBM50031878
Substrate
n/a
Meas. Tech.
ChEMBL_204883 (CHEMBL808554)
Ki
0.50±n/a nM
Citation
 Frye, SV; Haffner, CD; Maloney, PR; Hiner, RN; Dorsey, GF; Noe, RA; Unwalla, RJ; Batchelor, KW; Bramson, HN; Stuart, 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 Chem 38:2621-7 (1995) [PubMed]  Article 
Target
Name:
3-oxo-5-alpha-steroid 4-dehydrogenase 1
Synonyms:
3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 5α-Reductase 1 (5α-R1) | S5A1_HUMAN | S5AR | SR type 1 | SRD5A1 | Steroid 5-alpha-reductase | Steroid 5-alpha-reductase 1
Type:
Enzyme
Mol. Mass.:
29472.80
Organism:
Homo sapiens (Human)
Description:
P18405
Residue:
259
Sequence:
MATATGVAEERLLAALAYLQCAVGCAVFARNRQTNSVYGRHALPSHRLRVPARAAWVVQELPSLALPLYQYASESAPRLRSAPNCILLAMFLVHYGHRCLIYPFLMRGGKPMPLLACTMAIMFCTCNGYLQSRYLSHCAVYADDWVTDPRFLIGFGLWLTGMLINIHSDHILRNLRKPGDTGYKIPRGGLFEYVTAANYFGEIMEWCGYALASWSVQGAAFAFFTFCFLSGRAKEHHEWYLRKFEEYPKFRKIIIPFLF
  
Inhibitor
Name:
BDBM50031878
Synonyms:
(1S,9aR,11aS)-6,9a,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 (2-tert-butyl-6-trifluoromethyl-phenyl)-amide | CHEMBL421735
Type:
Small organic molecule
Emp. Form.:
C31H41F3N2O2
Mol. Mass.:
530.6646
SMILES:
CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)Nc4c(cccc4C(F)(F)F)C(C)(C)C)C3CN=C12 |t:39|
Structure:
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