| Reaction Details |
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 | Report a problem with these data |
| Target | Squalene monooxygenase |
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| Ligand | BDBM50250989 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_505336 (CHEMBL947712) |
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| IC50 | 1600±n/a nM |
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| Citation |  Abe, I; Kashiwagi, Y; Noguchi, H; Tanaka, T; Ikeshiro, Y; Kashiwada, Y Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. J Nat Prod64:1010-4 (2001) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Squalene monooxygenase |
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| Name: | Squalene monooxygenase |
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| Synonyms: | ERG1_RAT | Erg1 | SE | Sqle |
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| Type: | PROTEIN |
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| Mol. Mass.: | 64038.00 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_505339 |
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| Residue: | 573 |
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| Sequence: | MWTFLGIATFTYFYKKCGDVTLANKELLLCVLVFLSLGLVLSYRCRHRNGGLLGRHQSGS
QFAAFSDILSALPLIGFFWAKSPPESEKKEQLESKRRRKEVNLSETTLTGAATSVSTSSV
TDPEVIIIGSGVLGSALATVLSRDGRTVTVIERDLKEPDRILGECLQPGGYRVLRELGLG
DTVESLNAHHIHGYVIHDCESRSEVQIPYPVSENNQVQSGVAFHHGKFIMSLRKAAMAEP
NVKFIEGVVLRLLEEDDAVIGVQYKDKETGDTKELHAPLTVVADGLFSKFRKNLISNKVS
VSSHFVGFIMKDAPQFKANFAELVLVDPSPVLIYQISPSETRVLVDIRGELPRNLREYMT
EQIYPQIPDHLKESFLEACQNARLRTMPASFLPPSSVNKRGVLLLGDAYNLRHPLTGGGM
TVALKDIKIWRQLLKDIPDLYDDAAIFQAKKSFFWSRKRSHSFVVNVLAQALYELFSATD
DSLRQLRKACFLYFKLGGECLTGPVGLLSILSPDPLLLIRHFFSVAVYATYFCFKSEPWA
TKPRALFSSGAILYKACSIIFPLIYSEMKYLVH
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| BDBM50250989 |
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| n/a |
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| Name | BDBM50250989 |
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| Synonyms: | CHEMBL450745 | eugeniin |
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| Type | Small organic molecule |
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| Emp. Form. | C41H30O26 |
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| Mol. Mass. | 938.6613 |
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| SMILES | Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r| |
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| Structure | 
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