Reaction Details |
| Report a problem with these data |
Target | Squalene--hopene cyclase |
---|
Ligand | BDBM50128060 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_201950 (CHEMBL809137) |
---|
IC50 | 40±n/a nM |
---|
Citation | Lenhart, A; Reinert, DJ; Aebi, JD; Dehmlow, H; Morand, OH; Schulz, GE Binding structures and potencies of oxidosqualene cyclase inhibitors with the homologous squalene-hopene cyclase. J Med Chem46:2083-92 (2003) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Squalene--hopene cyclase |
---|
Name: | Squalene--hopene cyclase |
Synonyms: | SQHC_ALIAD | Squalene--hopene cyclase | Squalene-hopene cyclase | shc |
Type: | PROTEIN |
Mol. Mass.: | 71559.28 |
Organism: | Alicyclobacillus acidocaldarius |
Description: | ChEMBL_201951 |
Residue: | 631 |
Sequence: | MAEQLVEAPAYARTLDRAVEYLLSCQKDEGYWWGPLLSNVTMEAEYVLLCHILDRVDRDR
MEKIRRYLLHEQREDGTWALYPGGPPDLDTTIEAYVALKYIGMSRDEEPMQKALRFIQSQ
GGIESSRVFTRMWLALVGEYPWEKVPMVPPEIMFLGKRMPLNIYEFGSWARATVVALSIV
MSRQPVFPLPERARVPELYETDVPPRRRGAKGGGGWIFDALDRALHGYQKLSVHPFRRAA
EIRALDWLLERQAGDGSWGGIQPPWFYALIALKILDMTQHPAFIKGWEGLELYGVELDYG
GWMFQASISPVWDTGLAVLALRAAGLPADHDRLVKAGEWLLDRQITVPGDWAVKRPNLKP
GGFAFQFDNVYYPDVDDTAVVVWALNTLRLPDERRRRDAMTKGFRWIVGMQSSNGGWGAY
DVDNTSDLPNHIPFCDFGEVTDPPSEDVTAHVLECFGSFGYDDAWKVIRRAVEYLKREQK
PDGSWFGRWGVNYLYGTGAVVSALKAVGIDTREPYIQKALDWVEQHQNPDGGWGEDCRSY
EDPAYAGKGASTPSQTAWALMALIAGGRAESEAARRGVQYLVETQRPDGGWDEPYYTGTG
FPGDFYLGYTMYRHVFPTLALGRYKQAIERR
|
|
|
BDBM50128060 |
---|
n/a |
---|
Name | BDBM50128060 |
Synonyms: | CHEMBL63524 | N-allyl-4-(4-(4-bromobenzoyl)phenoxy)-N-methylbut-2-en-1-aminium | {4-[4-(Allyl-methyl-amino)-but-2-enyloxy]-phenyl}-(4-bromo-phenyl)-methanone |
Type | Small organic molecule |
Emp. Form. | C21H22BrNO2 |
Mol. Mass. | 400.309 |
SMILES | CN(CC=C)C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1 |
Structure |
|