Reaction Details Report a problem with these data
Target
7-dehydrocholesterol reductase
Ligand
BDBM50170646
Substrate
n/a
Meas. Tech.
ChEMBL_864350 (CHEMBL2175827)
IC50
500±n/a nM
Citation
 Horling, A; Müller, C; Barthel, R; Bracher, F; Imming, P A new class of selective and potent 7-dehydrocholesterol reductase inhibitors. J Med Chem 55:7614-22 (2012) [PubMed]  Article 
Target
Name:
7-dehydrocholesterol reductase
Synonyms:
7-DHC reductase | 7-dehydrocholesterol reductase | Anti-estrogen binding site (AEBS) | D7SR | DHCR7 | DHCR7_HUMAN | Putative sterol reductase SR-2 | Sterol Delta(7)-reductase
Type:
PROTEIN
Mol. Mass.:
54508.42
Organism:
Homo sapiens (Human)
Description:
ChEMBL_864350
Residue:
475
Sequence:
MAAKSQPNIPKAKSLDGVTNDRTASQGQWGRAWEVDWFSLASVIFLLLFAPFIVYYFIMACDQYSCALTGPVVDIVTGHARLSDIWAKTPPITRKAAQLYTLWVTFQVLLYTSLPDFCHKFLPGYVGGIQEGAVTPAGVVNKYQINGLQAWLLTHLLWFANAHLLSWFSPTIIFDNWIPLLWCANILGYAVSTFAMVKGYFFPTSARDCKFTGNFFYNYMMGIEFNPRIGKWFDFKLFFNGRPGIVAWTLINLSFAAKQRELHSHVTNAMVLVNVLQAIYVIDFFWNETWYLKTIDICHDHFGWYLGWGDCVWLPYLYTLQGLYLVYHPVQLSTPHAVGVLLLGLVGYYIFRVANHQKDLFRRTDGRCLIWGRKPKVIECSYTSADGQRHHSKLLVSGFWGVARHFNYVGDLMGSLAYCLACGGGHLLPYFYIIYMAILLTHRCLRDEHRCASKYGRDWERYTAAVPYRLLPGIF
  
Inhibitor
Name:
BDBM50170646
Synonyms:
4-(2-{4-[(E)-3-(4-Chloro-phenyl)-allyl]-piperazin-1-yl}-ethyl)-benzoic acid | CHEMBL189871 | CHEMBL2172263
Type:
Small organic molecule
Emp. Form.:
C22H25ClN2O2
Mol. Mass.:
384.899
SMILES:
OC(=O)c1ccc(CCN2CCN(C\C=C\c3ccc(Cl)cc3)CC2)cc1
Structure:
Search PDB for entries with ligand similarity: