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TargetAnti-estrogen binding site (AEBS)
LigandBDBM50396752
Substrate/Competitorn/a
Meas. Tech.ChEMBL_864350
IC50 7300±n/a nM
Citation Horling, AMüller, CBarthel, RBracher, FImming, P A new class of selective and potent 7-dehydrocholesterol reductase inhibitors. J Med Chem55:7614-22 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Anti-estrogen binding site (AEBS)
Name:Anti-estrogen binding site (AEBS)
Synonyms:7-DHC reductase | 7-dehydrocholesterol reductase | D7SR | DHCR7 | 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:
MAAKSQPNIPKAKSLDGVTNDRTASQGQWGRAWEVDWFSLASVIFLLLFAPFIVYYFIMA
CDQYSCALTGPVVDIVTGHARLSDIWAKTPPITRKAAQLYTLWVTFQVLLYTSLPDFCHK
FLPGYVGGIQEGAVTPAGVVNKYQINGLQAWLLTHLLWFANAHLLSWFSPTIIFDNWIPL
LWCANILGYAVSTFAMVKGYFFPTSARDCKFTGNFFYNYMMGIEFNPRIGKWFDFKLFFN
GRPGIVAWTLINLSFAAKQRELHSHVTNAMVLVNVLQAIYVIDFFWNETWYLKTIDICHD
HFGWYLGWGDCVWLPYLYTLQGLYLVYHPVQLSTPHAVGVLLLGLVGYYIFRVANHQKDL
FRRTDGRCLIWGRKPKVIECSYTSADGQRHHSKLLVSGFWGVARHFNYVGDLMGSLAYCL
ACGGGHLLPYFYIIYMAILLTHRCLRDEHRCASKYGRDWERYTAAVPYRLLPGIF
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  Blast E-value cutoff:
BDBM50396752
NameBDBM50396752
Synonyms:CHEMBL2172350
TypeSmall organic molecule
Emp. Form.C20H25NO4
Mol. Mass.343.4168
SMILESCOc1ccc(CCN2CCc3cc(O)c(OC)cc3C2)cc1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a