Reaction Details |
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Target | Catechol O-methyltransferase |
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Ligand | BDBM50167083 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1573539 (CHEMBL3801494) |
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IC50 | 11±n/a nM |
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Citation | Zhao, Z; Harrison, ST; Schubert, JW; Sanders, JM; Polsky-Fisher, S; Zhang, NR; McLoughlin, D; Gibson, CR; Robinson, RG; Sachs, NA; Kandebo, M; Yao, L; Smith, SM; Hutson, PH; Wolkenberg, SE; Barrow, JC Synthesis and optimization of N-heterocyclic pyridinones as catechol-O-methyltransferase (COMT) inhibitors. Bioorg Med Chem Lett26:2952-2956 (2016) [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_RAT | Catechol O-methyltransferase | Catechol-O-methyltransferase | Comt |
Type: | Enzyme |
Mol. Mass.: | 29594.09 |
Organism: | Rattus norvegicus (Rat) |
Description: | n/a |
Residue: | 264 |
Sequence: | MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNA
KPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMA
RLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDM
VFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSY
LEYMKVVDGLEKAIYQGPSSPDKS
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BDBM50167083 |
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n/a |
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Name | BDBM50167083 |
Synonyms: | CHEMBL3800482 |
Type | Small organic molecule |
Emp. Form. | C16H10F3N3O2 |
Mol. Mass. | 333.2647 |
SMILES | Oc1cn(ccc1=O)-c1cc(ccn1)-c1cccc(n1)C(F)(F)F |
Structure |
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