| Reaction Details |
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 | Report a problem with these data |
| Target | Catechol O-methyltransferase |
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| Ligand | BDBM84492 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Radiochemical Assay |
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| Temperature | 310.15±0 K |
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| IC50 | 1370±0.0 nM |
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| Citation |  Paulini, R; Lerner, C; Jakob-Roetne, R; Zürcher, G; Borroni, E; Diederich, F Bisubstrate inhibitors of the enzyme catechol O-methyltransferase (COMT): efficient inhibition despite the lack of a nitro group. Chembiochem5:1270-4 (2004) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Catechol O-methyltransferase |
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| Name: | Catechol O-methyltransferase |
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| Synonyms: | COMT_RAT | Catechol O-methyltransferase | Catechol-O-methyltransferase | Comt |
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| Type: | Enzyme |
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| Mol. Mass.: | 29594.09 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | n/a |
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| Residue: | 264 |
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| Sequence: | MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNA
KPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMA
RLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDM
VFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSY
LEYMKVVDGLEKAIYQGPSSPDKS
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| BDBM84492 |
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| n/a |
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| Name | BDBM84492 |
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| Synonyms: | Bi-substrate Inhibitor, 1r |
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| Type | Small organic molecule |
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| Emp. Form. | C22H26N6O6 |
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| Mol. Mass. | 470.4784 |
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| SMILES | CC(C)c1cc(O)c(O)c(c1)C(=O)NC\C=C\[C@H]1O[C@H]([C@H](O)C1O)n1cnc2c(N)ncnc12 |r| |
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| Structure | 
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