Reaction Details Report a problem with these data
Target
7-dehydrocholesterol reductase
Ligand
BDBM50407449
Substrate
n/a
Meas. Tech.
ChEMBL_2266977
IC50
1070±n/a nM
Citation
 Phull, MS; Jadav, SS; Gundla, R; Mainkar, PS A perspective on medicinal chemistry approaches towards adenomatous polyposis coli and Wnt signal based colorectal cancer inhibitors. Eur J Med Chem 212:0 (2021) [PubMed] 
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:
BDBM50407449
Synonyms:
CHEMBL5285995
Type:
Small organic molecule
Emp. Form.:
C21H28N2O2S
Mol. Mass.:
372.524
SMILES:
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)NCc1ccccc1
Structure:
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