Reaction Details |
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Target | Catechol O-methyltransferase |
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Ligand | BDBM50315221 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_625415 (CHEMBL1116964) |
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Ki | 6±n/a nM |
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Citation | Rautio, J; Leppänen, J; Lehtonen, M; Laine, K; Koskinen, M; Pystynen, J; Savolainen, J; Sairanen, M Design, synthesis and in vitro/in vivo evaluation of orally bioavailable prodrugs of a catechol-O-methyltransferase inhibitor. Bioorg Med Chem Lett20:2614-6 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Catechol O-methyltransferase |
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Name: | Catechol O-methyltransferase |
Synonyms: | COMT | COMT_HUMAN | Catechol O-methyltransferase | Catechol O-methyltransferase (MB-COMT) |
Type: | Enzyme |
Mol. Mass.: | 30030.67 |
Organism: | Homo sapiens (Human) |
Description: | P21964 |
Residue: | 271 |
Sequence: | MPEAPPLLLAAVLLGLVLLVVLLLLLRHWGWGLCLIGWNEFILQPIHNLLMGDTKEQRIL
NHVLQHAEPGNAQSVLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCG
YSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQLKKKY
DVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSSCFE
CTHYQSFLEYREVVDGLEKAIYKGPGSEAGP
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BDBM50315221 |
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n/a |
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Name | BDBM50315221 |
Synonyms: | (2-amino-3-methylbutanoyloxy)methyl 3-chloro-5,6-dihydroxy-7-nitrobenzo[b]thiophene-2-carboxylate | CHEMBL1091982 |
Type | Small organic molecule |
Emp. Form. | C15H15ClN2O8S |
Mol. Mass. | 418.806 |
SMILES | CC(C)C(N)C(=O)OCOC(=O)c1sc2c(c(O)c(O)cc2c1Cl)[N+]([O-])=O |
Structure |
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