Reaction Details
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17-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50190006
Substrate
n/a
Meas. Tech.
ChEMBL_398763 (CHEMBL908035)
IC50
100±n/a nM
Citation
Wood, J; Bagi, CM; Akuche, C; Bacchiocchi, A; Baryza, J; Blue, ML; Brennan, C; Campbell, AM; Choi, S; Cook, JH; Conrad, P; Dixon, BR; Ehrlich, PP; Gane, T; Gunn, D; Joe, T; Johnson, JS; Jordan, J; Kramss, R; Liu, P; Levy, J; Lowe, DB; McAlexander, I; Natero, R; Redman, AM; Scott, WJ; Town, C; Wang, M; Wang, Y; Zhang, Z 4,5-Disubstituted cis-pyrrolidinones as inhibitors of type II 17beta-hydroxysteroid dehydrogenase. Part 3. Identification of lead candidate. Bioorg Med Chem Lett 16:4965-8 (2006) [PubMed] Article More Info.:
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:
BDBM50190006
Synonyms:
(4R,5R)-5-((S)-(5-(4-fluorophenyl)thiophen-2-yl)(hydroxy)methyl)-1-methyl-4-phenylpyrrolidin-2-one | CHEMBL213667
Type:
Small organic molecule
Emp. Form.:
C22H20FNO2S
Mol. Mass.:
381.463
SMILES:
CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1
Structure:
