Reaction Details  Report a problem with these data
Target
17-beta-hydroxysteroid dehydrogenase type 3
Ligand
BDBM50381560
Substrate
n/a
Meas. Tech.
ChEMBL_814690 (CHEMBL2021209)
IC50
890±n/a nM
Citation
 Harada, K; Kubo, H; Abe, J; Haneta, M; Conception, A; Inoue, S; Okada, S; Nishioka, K Discovery of potent and orally bioavailable 17ß-hydroxysteroid dehydrogenase type 3 inhibitors. Bioorg Med Chem 20:3242-54 (2012) [PubMed]  Article
Target
Name:
17-beta-hydroxysteroid dehydrogenase type 3
Synonyms:
17-beta-hydroxysteroid dehydrogenase type 3 | DHB3_HUMAN | EDH17B3 | Estradiol 17-beta-dehydrogenase 3 | HSD17B3 | SDR12C2
Type:
Enzyme
Mol. Mass.:
34525.39
Organism:
Homo sapiens (Human)
Description:
P37058
Residue:
310
Sequence:
MGDVLEQFFILTGLLVCLACLAKCVRFSRCVLLNYWKVLPKSFLRSMGQWAVITGAGDGIGKAYSFELAKRGLNVVLISRTLEKLEAIATEIERTTGRSVKIIQADFTKDDIYEHIKEKLAGLEIGILVNNVGMLPNLLPSHFLNAPDEIQSLIHCNITSVVKMTQLILKHMESRQKGLILNISSGIALFPWPLYSMYSASKAFVCAFSKALQEEYKAKEVIIQVLTPYAVSTAMTKYLNTNVITKTADEFVKESLNYVTIGGETCGCLAHEILAGFLSLIPAWAFYSGAFQRLLLTHYVAYLKLNTKVR
  
Inhibitor
Name:
BDBM50381560
Synonyms:
CHEMBL2018127
Type:
Small organic molecule
Emp. Form.:
C11H8BrNO2S2
Mol. Mass.:
330.221
SMILES:
CN1C(=S)S\C(=C/c2ccc(O)c(Br)c2)C1=O
Structure:
Search PDB for entries with ligand similarity: