Reaction Details
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Target
Squalene monooxygenase
Ligand
BDBM50032851
Substrate
n/a
Meas. Tech.
ChEMBL_201941 (CHEMBL809128)
IC50
870±n/a nM
Citation
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More Info.:
Target
Name:
Squalene monooxygenase
Synonyms:
ERG1 | ERG1_HUMAN | SE | SQLE | Squalene epoxidase
Type:
PROTEIN
Mol. Mass.:
63936.94
Organism:
Homo sapiens (Human)
Description:
ChEMBL_201924
Residue:
574
Sequence:
MWTFLGIATFTYFYKKFGDFITLANREVLLCVLVFLSLGLVLSYRCRHRNGGLLGRQQSGSQFALFSDILSGLPFIGFFWAKSPPESENKEQLEARRRRKGTNISETSLIGTAACTSTSSQNDPEVIIVGAGVLGSALAAVLSRDGRKVTVIERDLKEPDRIVGEFLQPGGYHVLKDLGLGDTVEGLDAQVVNGYMIHDQESKSEVQIPYPLSENNQVQSGRAFHHGRFIMSLRKAAMAEPNAKFIEGVVLQLLEEDDVVMGVQYKDKETGDIKELHAPLTVVADGLFSKFRKSLVSNKVSVSSHFVGFLMKNAPQFKANHAELILANPSPVLIYQISSSETRVLVDIRGEMPRNLREYMVEKIYPQIPDHLKEPFLEATDNSHLRSMPASFLPPSSVKKRGVLLLGDAYNMRHPLTGGGMTVAFKDIKLWRKLLKGIPDLYDDAAIFEAKKSFYWARKTSHSFVVNILAQALYELFSATDDSLHQLRKACFLYFKLGGECVAGPVGLLSVLSPNPLVLIGHFFAVAIYAVYFCFKSEPWITKPRALLSSGAVLYKACSVIFPLIYSEMKYMVH
Inhibitor
Name:
BDBM50032851
Synonyms:
((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-(3-{[(4-methoxy-phenyl)-dimethyl-silanyl]-methoxy}-benzyl)-amine | CHEMBL111114
Type:
Small organic molecule
Emp. Form.:
C28H39NO2Si
Mol. Mass.:
449.7003
SMILES:
CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(OC)cc2)c1