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Target
Phosphodiesterase
Ligand
BDBM50397108
Substrate
n/a
Meas. Tech.
ChEMBL_863627 (CHEMBL2175359)
IC50
4±n/a nM
Citation
 Orrling, KM; Jansen, C; Vu, XL; Balmer, V; Bregy, P; Shanmugham, A; England, P; Bailey, D; Cos, P; Maes, L; Adams, E; van den Bogaart, E; Chatelain, E; Ioset, JR; van de Stolpe, A; Zorg, S; Veerman, J; Seebeck, T; Sterk, GJ; de Esch, IJ; Leurs, R Catechol pyrazolinones as trypanocidals: fragment-based design, synthesis, and pharmacological evaluation of nanomolar inhibitors of trypanosomal phosphodiesterase B1. J Med Chem 55:8745-56 (2012) [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:
BDBM50397108
Synonyms:
CHEMBL85005
Type:
Small organic molecule
Emp. Form.:
C33H40N6O4
Mol. Mass.:
584.7085
SMILES:
COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:43,t:28|
Structure:
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