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Target
Phosphodiesterase
Ligand
BDBM50453161
Substrate
n/a
Meas. Tech.
ChEMBL_1849721 (CHEMBL4350262)
Ki
100±n/a nM
Citation
 de Heuvel, E; Singh, AK; Edink, E; van der Meer, T; van der Woude, M; Sadek, P; Krell-Jørgensen, MP; van den Bergh, T; Veerman, J; Caljon, G; Kalejaiye, TD; Wijtmans, M; Maes, L; de Koning, HP; Jan Sterk, G; Siderius, M; de Esch, IJP; Brown, DG; Leurs, R Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors. Bioorg Med Chem 27:3998-4012 (2019) [PubMed]  Article
Target
Name:
Phosphodiesterase
Synonyms:
Class 1 phosphodiesterase PDEB1 | Class I phosphodiesterase B1 (TbrPDEB1) | PDEB1
Type:
Protein
Mol. Mass.:
103683.20
Organism:
Trypanosoma brucei
Description:
n/a
Residue:
930
Sequence:
MFMNKPFGSKRCEPFHESEHLCEAFAITEAILARYQRGKRSFTSSEKSGLAALIKRIPYDILVEVLDQSGFTPTSNATPPVDYLAMMEHTMTHGASITHALQYLNDLMTKCTGCPGIRTYYHNPNDDVLADPVHDTAALIDETTAVGKSVVTKQYLNIAGAHYIPLIHGDIVVGCVEVPRFSGNLEKLPSFPSLIRAVTCTAHKFIEEARINWNREKAEAMLQMATRLARDNLDETVLASSIMNTVKSLTESARCSLFLVKDDKLEAHFEDGNVVSIPKGTGIVGYVAQTGETVNIVDAYADDRFNREVDKATGYRTKTILCMPVMYEGTIVAVTQLINKLDLTTESGLRLPRVFGKRDEELFQTFSMFAGASLRNCRINDRLLKEKKKSDVILDVVTVLSNTDIRDVDGIVRHALHGAKKLLNADRSTLFLVDKERNELCSRMADSVAGKEIRFPCGQGIAGTVAASGVGENIQDAYQDPRFNREVDKQLGYRTQTILCEPIILNGEILAVVQLVNKLDTSGEVTVFTEDDRDTFRVFSLFAGISINNSHLLEFAVKAGREVMELNEHRATLFNKNVPSRAVKRVTAITKVEREAVLVCELPSFDVTDVEFDLFRARESTDKPLDVAAAIAYRLLLGSGLPQKFGCSDEVLLNFILQCRKKYRNVPYHNFYHVVDVCQTIHTFLYRGNVYEKLTELECFVLLITALVHDLDHMGLNNSFYLKTESPLGILSSASGNTSVLEVHHCNLAVEILSDPESDVFDGLEGAERTLAFRSMIDCVLATDMAKHGSALEAFLASAADQSSDEAAFHRMTMEIILKAGDISNVTKPFDISRQWAMAVTEEFYRQGDMEKERGVEVLPMFDRSKNMELAKGQIGFIDFVAAPFFQKIVDACLQGMQWTVDRIKSNRAQWERVLETRLSTSSGNNSSTR
  
Inhibitor
Name:
BDBM50453161
Synonyms:
CHEMBL4204999
Type:
Small organic molecule
Emp. Form.:
C27H30N4O4
Mol. Mass.:
474.5515
SMILES:
[H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCC(N)=O |r,c:3,9|
Structure:
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