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Target
Catechol O-methyltransferase
Ligand
BDBM50017863
Substrate
n/a
Meas. Tech.
ChEBML_47065
IC50
90±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:
BDBM50017863
Synonyms:
CHEMBL167172 | N-Adamantan-1-yl-3-cyano-4,5-dihydroxy-benzamide
Type:
Small organic molecule
Emp. Form.:
C18H20N2O3
Mol. Mass.:
312.363
SMILES:
Oc1cc(cc(C#N)c1O)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:21:13:16:19.20.18,21:19:13.14.22:16,18:17:14:19.21.20,18:19:14:17.22.16|
Structure:
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