Reaction Details Report a problem with these data
Target
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/7-dehydrocholesterol reductase
Ligand
BDBM50020285
Substrate
n/a
Meas. Tech.
ChEBML_35744
IC50
22±n/a nM
Citation
 Ruenitz, PC; Arrendale, RF; Schmidt, WF; Thompson, CB; Nanavati, NT Phenolic metabolites of clomiphene: [(E,Z)-2-[4-(1,2-diphenyl-2-chlorovinyl)phenoxy]ethyl]diethylamine. Preparation, electrophilicity, and effects in MCF 7 breast cancer cells. J Med Chem 32:192-7 (1989) [PubMed]  Article 
Target
Name:
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/7-dehydrocholesterol reductase
Synonyms:
Anti-estrogen binding site (AEBS)
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 35744
Components:
This complex has 2 components.
Component 1
Name:
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase
Synonyms:
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/Delta(24)-sterol reductase | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase | Anti-estrogen binding site (AEBS) | Cholestenol Delta-isomerase | D8-D7 sterol isomerase | Delta(8)-Delta(7) sterol isomerase | EBP | EBP_HUMAN | Emopamil-binding protein
Type:
PROTEIN
Mol. Mass.:
26358.51
Organism:
Homo sapiens (Human)
Description:
ChEMBL_873432
Residue:
230
Sequence:
MTTNAGPLHPYWPQHLRLDNFVPNDRPTWHILAGLFSVTGVLVVTTWLLSGRAAVVPLGTWRRLSLCWFAVCGFIHLVIEGWFVLYYEDLLGDQAFLSQLWKEYAKGDSRYILGDNFTVCMETITACLWGPLSLWVVIAFLRQHPLRFILQLVVSVGQIYGDVLYFLTEHRDGFQHGELGHPLYFWFYFVFMNALWLVLPGVLVLDAVKHLTHAQSTLDAKATKAKSKKN
  
Component 2
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:
BDBM50020285
Synonyms:
3'-Methoxy-4'Hydroxyclomiphene | 4-{2-Chloro-1-[4-(2-diethylamino-ethoxy)-phenyl]-2-phenyl-vinyl}-2-methoxy-phenol | CHEMBL955
Type:
Small organic molecule
Emp. Form.:
C27H30ClNO3
Mol. Mass.:
451.985
SMILES:
CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccc(O)c(OC)c1
Structure:
Search PDB for entries with ligand similarity: