Reaction Details
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17-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50516195
Substrate
n/a
Meas. Tech.
ChEMBL_1863749 (CHEMBL4364724)
IC50
18±n/a nM
Citation
Abdelsamie, AS; Salah, M; Siebenbürger, L; Hamed, MM; Börger, C; van Koppen, CJ; Frotscher, M; Hartmann, RW Development of potential preclinical candidates with promising in vitro ADME profile for the inhibition of type 1 and type 2 17?-Hydroxysteroid dehydrogenases: Design, synthesis, and biological evaluation. Eur J Med Chem 178:93-107 (2019) [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:
BDBM50516195
Synonyms:
CHEMBL4537350
Type:
Small organic molecule
Emp. Form.:
C17H8Cl3FO3S
Mol. Mass.:
417.666
SMILES:
Oc1ccc(Cl)c(C(=O)c2ccc(s2)-c2cc(Cl)c(O)c(Cl)c2)c1F
Structure:
