| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Squalene--hopene cyclase |
|---|
| Ligand | BDBM50128063 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_201950 (CHEMBL809137) |
|---|
| IC50 | 306±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
|
|
|
|---|
| BDBM50128063 |
|---|
| n/a |
|---|
| Name | BDBM50128063 |
|---|
| Synonyms: | Allyl-{6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yloxy]-hexyl}-methyl-amine | CHEMBL112210 | CHEMBL67133 | N-(6-{[3-(4-BROMOPHENYL)-1,2-BENZISOTHIAZOL-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE | N-allyl-6-(3-(4-bromophenyl)benzo[d]isothiazol-6-yloxy)-N-methylhexan-1-aminium |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C23H27BrN2OS |
|---|
| Mol. Mass. | 459.442 |
|---|
| SMILES | CN(CCCCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C |
|---|
| Structure | 
|
|---|
Search and Browse
