Target
Catechol O-methyltransferase
Ligand
BDBM50450450
Substrate
n/a
Meas. Tech.
ChEMBL_1742589 (CHEMBL4158339)
IC50
3981±n/a nM
Citation
 Buchler, IAkuma, DAu, VCarr, Gde León, PDePasquale, MErnst, GHuang, YKimos, MKolobova, APoslusney, MWei, HSwinnen, DMontel, FMoureau, FJigorel, ESchulze, MEDWood, MBarrow, JC Optimization of 8-Hydroxyquinolines as Inhibitors of Catechol O-Methyltransferase. J Med Chem 61:9647-9665 (2018) [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:
BDBM50450450
Synonyms:
CHEMBL4172614
Type:
Small organic molecule
Emp. Form.:
C13H13FN2O3S
Mol. Mass.:
296.317
SMILES:
Oc1c(F)cc(c2cccnc12)S(=O)(=O)N1CCCC1
Structure:
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