| Reaction Details |
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 | Report a problem with these data |
| Target | Squalene--hopene cyclase |
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| Ligand | BDBM50128046 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_201950 (CHEMBL809137) |
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| IC50 | 49±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Squalene--hopene cyclase |
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| Name: | Squalene--hopene cyclase |
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| Synonyms: | SQHC_ALIAD | Squalene--hopene cyclase | Squalene-hopene cyclase | shc |
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| Type: | PROTEIN |
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| Mol. Mass.: | 71559.28 |
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| Organism: | Alicyclobacillus acidocaldarius |
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| Description: | ChEMBL_201951 |
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| Residue: | 631 |
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| Sequence: | MAEQLVEAPAYARTLDRAVEYLLSCQKDEGYWWGPLLSNVTMEAEYVLLCHILDRVDRDR
MEKIRRYLLHEQREDGTWALYPGGPPDLDTTIEAYVALKYIGMSRDEEPMQKALRFIQSQ
GGIESSRVFTRMWLALVGEYPWEKVPMVPPEIMFLGKRMPLNIYEFGSWARATVVALSIV
MSRQPVFPLPERARVPELYETDVPPRRRGAKGGGGWIFDALDRALHGYQKLSVHPFRRAA
EIRALDWLLERQAGDGSWGGIQPPWFYALIALKILDMTQHPAFIKGWEGLELYGVELDYG
GWMFQASISPVWDTGLAVLALRAAGLPADHDRLVKAGEWLLDRQITVPGDWAVKRPNLKP
GGFAFQFDNVYYPDVDDTAVVVWALNTLRLPDERRRRDAMTKGFRWIVGMQSSNGGWGAY
DVDNTSDLPNHIPFCDFGEVTDPPSEDVTAHVLECFGSFGYDDAWKVIRRAVEYLKREQK
PDGSWFGRWGVNYLYGTGAVVSALKAVGIDTREPYIQKALDWVEQHQNPDGGWGEDCRSY
EDPAYAGKGASTPSQTAWALMALIAGGRAESEAARRGVQYLVETQRPDGGWDEPYYTGTG
FPGDFYLGYTMYRHVFPTLALGRYKQAIERR
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| BDBM50128046 |
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| n/a |
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| Name | BDBM50128046 |
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| Synonyms: | (E)-N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6-yloxy)-N-methylbut-2-en-1-aminium | Allyl-{4-[3-(4-bromo-phenyl)-benzo[d]isoxazol-6-yloxy]-but-2-enyl}-methyl-amine | CHEMBL65601 | N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6-yloxy)-N-methylbut-2-en-1-aminium |
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| Type | Small organic molecule |
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| Emp. Form. | C21H21BrN2O2 |
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| Mol. Mass. | 413.308 |
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| SMILES | CN(CC=C)C\C=C\COc1ccc2c(noc2c1)-c1ccc(Br)cc1 |
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| Structure | 
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