| Reaction Details |
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 | Report a problem with these data |
| Target | Squalene--hopene cyclase |
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| Ligand | BDBM50128072 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_201950 (CHEMBL809137) |
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| IC50 | 59±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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| BDBM50128072 |
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| n/a |
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| Name | BDBM50128072 |
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| Synonyms: | (4-{2-[(Allyl-cyclopropyl-amino)-methyl]-cyclopropylmethoxy}-phenyl)-(4-bromo-phenyl)-methanone | CHEMBL293005 | N-allyl-N-(((1S,2S)-2-((4-(4-bromobenzoyl)phenoxy)methyl)cyclopropyl)methyl)cyclopropanaminium | {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE |
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| Type | Small organic molecule |
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| Emp. Form. | C24H26BrNO2 |
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| Mol. Mass. | 440.373 |
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| SMILES | Brc1ccc(cc1)C(=O)c1ccc(OC[C@H]2C[C@@H]2CN(CC=C)C2CC2)cc1 |
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| Structure | 
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