Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPhosphodiesterase
LigandBDBM50148253
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1553554 (CHEMBL3769086)
IC50 158±n/a nM
Citation Veerman, Jvan den Bergh, TOrrling, KMJansen, CCos, PMaes, LChatelain, EIoset, JREdink, EETenor, HSeebeck, Tde Esch, ILeurs, RSterk, GJ Synthesis and evaluation of analogs of the phenylpyridazinone NPD-001 as potent trypanosomal TbrPDEB1 phosphodiesterase inhibitors and in vitro trypanocidals. Bioorg Med Chem24:1573-81 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Phosphodiesterase
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:
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:
BDBM50148253
n/a
NameBDBM50148253
Synonyms:CHEMBL3765733
TypeSmall organic molecule
Emp. Form.C28H33N3O3
Mol. Mass.459.5799
SMILES[H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCc2ccncc2)c1 |r,c:3,9|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: