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Target
Catechol O-methyltransferase
Ligand
BDBM50108878
Substrate
n/a
Meas. Tech.
ChEMBL_47066 (CHEMBL661107)
IC50
3.7±n/a nM
Citation
 Learmonth, DA; Vieira-Coelho, MA; Benes, J; Alves, PC; Borges, N; Freitas, AP; da-Silva, PS Synthesis of 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenyl-ethanone and derivatives as potent and long-acting peripheral inhibitors of catechol-O-methyltransferase. J Med Chem 45:685-95 (2002) [PubMed]  Article 
Target
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:
MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS
  
Inhibitor
Name:
BDBM50108878
Synonyms:
1-(3,4-Dihydroxy-5-nitro-phenyl)-2-phenyl-ethanone | 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone | CHEMBL160038 | NEBICAPONE
Type:
Small organic molecule
Emp. Form.:
C14H11NO5
Mol. Mass.:
273.2408
SMILES:
Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)Cc1ccccc1
Structure:
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