Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEstradiol 17-beta-dehydrogenase 2
LigandBDBM50525970
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1898529 (CHEMBL4400644)
IC50 14±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
 
Estradiol 17-beta-dehydrogenase 2
Name:Estradiol 17-beta-dehydrogenase 2
Synonyms:17-beta-HSD 2 | 17-beta-hydroxysteroid dehydrogenase type 2 | DHB2_MOUSE | Edh17b2 | Hsd17b2 | Testosterone 17-beta-dehydrogenase
Type:PROTEIN
Mol. Mass.:41847.95
Organism:Mus musculus
Description:ChEMBL_104366
Residue:381
Sequence:
MSPFASESAWLCLAAAAVLGGTLLCGCRSGRQLRSQAVCLAGLWGGACLLSLSLLCTLFL
LSVACFLLLYMSSSDQDLLPVDQKAVLVTGADSGFGHGLAKHLDKLGFTVFAGVLDKEGP
GAEELRKHCSERLSVLQMDVTKPEQIKDAHSKVTEKIQDKGLWAVVNNAGVFHLPIDGEL
IPMSIYRKCMAVNFFGTVEVTKAFLPLLRKSKGRLVNVSSMGGTVPLQMTSAYAATKAAL
TMFSTIIRQELDKWGVKVVTIKPGGFKTNITGSQDIWDKMEKEILDHFSKDIQENYGQDY
VHTQKLIIPTLKERSNPDITPVLRDIQHAISARNPSSFYYPGRMAYLWVCLAAYCPTSLL
DYVIKKGFYPQPTPRALRTVH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50525970
n/a
NameBDBM50525970
Synonyms:CHEMBL4450585
TypeSmall organic molecule
Emp. Form.C24H12BrF6NO5S2
Mol. Mass.652.38
SMILESOc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)c2)c1F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: