Reaction Details Report a problem with these data
Target
17-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50167142
Substrate
n/a
Meas. Tech.
ChEMBL_305847 (CHEMBL829588)
IC50
>10000±n/a nM
Citation
 Gunn, D; Akuche, C; Baryza, J; Blue, ML; Brennan, C; Campbell, AM; Choi, S; Cook, J; Conrad, P; Dixon, B; Dumas, J; Ehrlich, P; Gane, T; Joe, T; Johnson, J; Jordan, J; Kramss, R; Liu, P; Levy, J; Lowe, D; McAlexander, I; Natero, R; Redman, AM; Scott, W; Seng, T; Sibley, R; Wang, M; Wang, Y; Wood, J; Zhang, Z 4,5-Disubstituted cis-pyrrolidinones as inhibitors of type II 17beta-hydroxysteroid dehydrogenase. Part 2. SAR. Bioorg Med Chem Lett 15:3053-7 (2005) [PubMed]  Article 
Target
Name:
17-beta-hydroxysteroid dehydrogenase type 2
Synonyms:
17-beta-Hydroxysteroid Dehydrogenase 2 (17-beta-HSD2) | 20 alpha-hydroxysteroid dehydrogenase | 20-alpha-HSD | DHB2_HUMAN | EDH17B2 | Estradiol 17-beta-dehydrogenase 2 | Estradiol 17-beta-dehydrogenase 2 (17beta-HSD2) | HSD17B2 | Microsomal 17-beta-hydroxysteroid dehydrogenas | SDR9C2 | Testosterone 17-beta-dehydrogenase
Type:
Oxidoreductase; single-pass type II membrane protein
Mol. Mass.:
42795.29
Organism:
Homo sapiens (Human)
Description:
Enzyme was partially purified from human placenta.
Residue:
387
Sequence:
MSTFFSDTAWICLAVPTVLCGTVFCKYKKSSGQLWSWMVCLAGLCAVCLLILSPFWGLILFSVSCFLMYTYLSGQELLPVDQKAVLVTGGDCGLGHALCKYLDELGFTVFAGVLNENGPGAEELRRTCSPRLSVLQMDITKPVQIKDAYSKVAAMLQDRGLWAVINNAGVLGFPTDGELLLMTDYKQCMAVNFFGTVEVTKTFLPLLRKSKGRLVNVSSMGGGAPMERLASYGSSKAAVTMFSSVMRLELSKWGIKVASIQPGGFLTNIAGTSDKWEKLEKDILDHLPAEVQEDYGQDYILAQRNFLLLINSLASKDFSPVLRDIQHAILAKSPFAYYTPGKGAYLWICLAHYLPIGIYDYFAKRHFGQDKPMPRALRMPNYKKKAT
  
Inhibitor
Name:
BDBM50167142
Synonyms:
(4R,5R)-5-[(R)-Hydroxy-(5-phenyl-thiophen-2-yl)-methyl]-1-methyl-4-(4-nitro-phenyl)-pyrrolidin-2-one | CHEMBL187381
Type:
Small organic molecule
Emp. Form.:
C22H20N2O4S
Mol. Mass.:
408.47
SMILES:
CN1[C@@H]([C@@H](O)c2ccc(s2)-c2ccccc2)[C@H](CC1=O)c1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: