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Target
Catechol O-methyltransferase
Ligand
BDBM50017849
Substrate
n/a
Meas. Tech.
ChEBML_47065
IC50
2700±n/a nM
Citation
 Bäckström, R; Honkanen, E; Pippuri, A; Kairisalo, P; Pystynen, J; Heinola, K; Nissinen, E; Linden, IB; Männistö, PT; Kaakkola, S Synthesis of some novel potent and selective catechol O-methyltransferase inhibitors. J Med Chem 32:841-6 (1989) [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:
BDBM50017849
Synonyms:
CHEMBL169679 | N-Adamantan-1-yl-2-chloro-4,5-dihydroxy-benzamide
Type:
Small organic molecule
Emp. Form.:
C17H20ClNO3
Mol. Mass.:
321.799
SMILES:
Oc1cc(Cl)c(cc1O)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:18:21:14.13.15,19:14:21:18.20.17,THB:17:18:13:16.21.15,17:16:13:18.20.19|
Structure:
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