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TargetClass I phosphodiesterase B1 (TbrPDEB1)
LigandBDBM50397104
Substrate/Competitorn/a
Meas. Tech.ChEMBL_863634
IC50 10000±n/a nM
Citation Orrling, KMJansen, CVu, XLBalmer, VBregy, PShanmugham, AEngland, PBailey, DCos, PMaes, LAdams, Evan den Bogaart, EChatelain, EIoset, JRvan de Stolpe, AZorg, SVeerman, JSeebeck, TSterk, GJde Esch, IJLeurs, R Catechol pyrazolinones as trypanocidals: fragment-based design, synthesis, and pharmacological evaluation of nanomolar inhibitors of trypanosomal phosphodiesterase B1. J Med Chem55:8745-56 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Class I phosphodiesterase B1 (TbrPDEB1)
Name:Class I phosphodiesterase B1 (TbrPDEB1)
Synonyms:Class 1 phosphodiesterase PDEB1 | PDEB1
Type:Protein
Mol. Mass.:103683.20
Organism:Trypanosoma brucei
Description:n/a
Residue:930
Sequence:
MFMNKPFGSKRCEPFHESEHLCEAFAITEAILARYQRGKRSFTSSEKSGLAALIKRIPYD
ILVEVLDQSGFTPTSNATPPVDYLAMMEHTMTHGASITHALQYLNDLMTKCTGCPGIRTY
YHNPNDDVLADPVHDTAALIDETTAVGKSVVTKQYLNIAGAHYIPLIHGDIVVGCVEVPR
FSGNLEKLPSFPSLIRAVTCTAHKFIEEARINWNREKAEAMLQMATRLARDNLDETVLAS
SIMNTVKSLTESARCSLFLVKDDKLEAHFEDGNVVSIPKGTGIVGYVAQTGETVNIVDAY
ADDRFNREVDKATGYRTKTILCMPVMYEGTIVAVTQLINKLDLTTESGLRLPRVFGKRDE
ELFQTFSMFAGASLRNCRINDRLLKEKKKSDVILDVVTVLSNTDIRDVDGIVRHALHGAK
KLLNADRSTLFLVDKERNELCSRMADSVAGKEIRFPCGQGIAGTVAASGVGENIQDAYQD
PRFNREVDKQLGYRTQTILCEPIILNGEILAVVQLVNKLDTSGEVTVFTEDDRDTFRVFS
LFAGISINNSHLLEFAVKAGREVMELNEHRATLFNKNVPSRAVKRVTAITKVEREAVLVC
ELPSFDVTDVEFDLFRARESTDKPLDVAAAIAYRLLLGSGLPQKFGCSDEVLLNFILQCR
KKYRNVPYHNFYHVVDVCQTIHTFLYRGNVYEKLTELECFVLLITALVHDLDHMGLNNSF
YLKTESPLGILSSASGNTSVLEVHHCNLAVEILSDPESDVFDGLEGAERTLAFRSMIDCV
LATDMAKHGSALEAFLASAADQSSDEAAFHRMTMEIILKAGDISNVTKPFDISRQWAMAV
TEEFYRQGDMEKERGVEVLPMFDRSKNMELAKGQIGFIDFVAAPFFQKIVDACLQGMQWT
VDRIKSNRAQWERVLETRLSTSSGNNSSTR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50397104
NameBDBM50397104
Synonyms:CHEMBL2171662
TypeSmall organic molecule
Emp. Form.C20H22N2O3
Mol. Mass.338.4003
SMILESCOc1ccc(cc1OCc1ccccc1)C1=NN(C)C(=O)C1(C)C |t:18|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a