Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target17-beta-hydroxysteroid dehydrogenase type 1
LigandBDBM50525962
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1898527 (CHEMBL4400642)
IC50 0.800000±n/a nM
Citation Abdelsamie, ASHerath, SBiskupek, YBörger, CSiebenbürger, LSalah, MScheuer, CMarchais-Oberwinkler, SFrotscher, MPohlemann, TMenger, MDHartmann, RWLaschke, MWvan Koppen, CJ Targeted Endocrine Therapy: Design, Synthesis, and Proof-of-Principle of 17?-Hydroxysteroid Dehydrogenase Type 2 Inhibitors in Bone Fracture Healing. J Med Chem62:1362-1372 (2019) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
17-beta-hydroxysteroid dehydrogenase type 1
Name:17-beta-hydroxysteroid dehydrogenase type 1
Synonyms:17-beta-HSD 1 | 17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1) | 17-beta-hydroxysteroid dehydrogenase type 1 | 20 alpha-hydroxysteroid dehydrogenase | 20-alpha-HSD | DHB1_HUMAN | E17KSR | E2DH | EDH17B1 | EDH17B2 | EDHB17 | Estradiol 17-beta-dehydrogenase 1 | Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) | HSD17B1 | Placental 17-beta-hydroxysteroid dehydrogenase | SDR28C1
Type:Enzyme
Mol. Mass.:34945.13
Organism:Homo sapiens (Human)
Description:P14061
Residue:328
Sequence:
MARTVVLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPGSL
ETLQLDVRDSKSVAAARERVTEGRVDVLVCNAGLGLLGPLEALGEDAVASVLDVNVVGTV
RMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVH
LSLIECGPVHTAFMEKVLGSPEEVLDRTDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEV
FLTALRAPKPTLRYFTTERFLPLLRMRLDDPSGSNYVTAMHREVFGDVPAKAEAGAEAGG
GAGPGAEDEAGRGAVGDPELGDPPAAPQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50525962
n/a
NameBDBM50525962
Synonyms:CHEMBL4464314
TypeSmall organic molecule
Emp. Form.C23H13ClF3NO4S2
Mol. Mass.523.932
SMILESOc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)c1F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: