Reaction Details Report a problem with these data
Target
7-dehydrocholesterol reductase
Ligand
BDBM50407451
Substrate
n/a
Meas. Tech.
ChEMBL_2266977
IC50
2040±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:
BDBM50407451
Synonyms:
CHEMBL5270628
Type:
Small organic molecule
Emp. Form.:
C20H31N3O2S
Mol. Mass.:
377.544
SMILES:
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)N1CN2CCC1CC2 |(-5.77,-2.67,;-4.23,-2.67,;-3.46,-1.33,;-1.92,-1.33,;-1.15,,;-1.15,-2.67,;-1.92,-4,;-1.15,-5.34,;-3.46,-4,;.38,-2.67,;.38,-4.21,;1.72,-3.44,;1.15,-1.33,;2.69,-1.33,;3.46,,;2.69,1.33,;1.15,1.33,;.38,,;3.46,2.67,;2.69,4,;3.46,5.34,;5,5.34,;5.77,4,;5,2.67,;5,3.8,;4.49,4.82,)|
Structure:
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