Reaction Details |
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Target | Squalene--hopene cyclase |
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Ligand | BDBM50143436 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_201951 |
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IC50 | 90000±n/a nM |
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Citation | Cravotto, G; Balliano, G; Robaldo, B; Oliaro-Bosso, S; Chimichi, S; Boccalini, M Farnesyloxycoumarins, a new class of squalene-hopene cyclase inhibitors. Bioorg Med Chem Lett14:1931-4 (2004) [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 |
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
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BDBM50143436 |
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n/a |
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Name | BDBM50143436 |
Synonyms: | 4-Hydroxy-3-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl)-chromen-2-one | CHEMBL174839 |
Type | Small organic molecule |
Emp. Form. | C24H30O3 |
Mol. Mass. | 366.4932 |
SMILES | [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2ccccc2oc1=O |
Structure |
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