| Reaction Details |
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 | Report a problem with these data |
| Target | Phosphodiesterase |
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| Ligand | BDBM50397106 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_863634 (CHEMBL2175366) |
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| IC50 | 410±n/a nM |
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| 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 Chem55:8745-56 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Phosphodiesterase |
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| Name: | Phosphodiesterase |
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| Synonyms: | Class 1 phosphodiesterase PDEB1 | Class I phosphodiesterase B1 (TbrPDEB1) | PDEB1 |
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| Type: | Protein |
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| Mol. Mass.: | 103683.20 |
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| Organism: | Trypanosoma brucei |
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| Description: | n/a |
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| Residue: | 930 |
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| Sequence: | MFMNKPFGSKRCEPFHESEHLCEAFAITEAILARYQRGKRSFTSSEKSGLAALIKRIPYD
ILVEVLDQSGFTPTSNATPPVDYLAMMEHTMTHGASITHALQYLNDLMTKCTGCPGIRTY
YHNPNDDVLADPVHDTAALIDETTAVGKSVVTKQYLNIAGAHYIPLIHGDIVVGCVEVPR
FSGNLEKLPSFPSLIRAVTCTAHKFIEEARINWNREKAEAMLQMATRLARDNLDETVLAS
SIMNTVKSLTESARCSLFLVKDDKLEAHFEDGNVVSIPKGTGIVGYVAQTGETVNIVDAY
ADDRFNREVDKATGYRTKTILCMPVMYEGTIVAVTQLINKLDLTTESGLRLPRVFGKRDE
ELFQTFSMFAGASLRNCRINDRLLKEKKKSDVILDVVTVLSNTDIRDVDGIVRHALHGAK
KLLNADRSTLFLVDKERNELCSRMADSVAGKEIRFPCGQGIAGTVAASGVGENIQDAYQD
PRFNREVDKQLGYRTQTILCEPIILNGEILAVVQLVNKLDTSGEVTVFTEDDRDTFRVFS
LFAGISINNSHLLEFAVKAGREVMELNEHRATLFNKNVPSRAVKRVTAITKVEREAVLVC
ELPSFDVTDVEFDLFRARESTDKPLDVAAAIAYRLLLGSGLPQKFGCSDEVLLNFILQCR
KKYRNVPYHNFYHVVDVCQTIHTFLYRGNVYEKLTELECFVLLITALVHDLDHMGLNNSF
YLKTESPLGILSSASGNTSVLEVHHCNLAVEILSDPESDVFDGLEGAERTLAFRSMIDCV
LATDMAKHGSALEAFLASAADQSSDEAAFHRMTMEIILKAGDISNVTKPFDISRQWAMAV
TEEFYRQGDMEKERGVEVLPMFDRSKNMELAKGQIGFIDFVAAPFFQKIVDACLQGMQWT
VDRIKSNRAQWERVLETRLSTSSGNNSSTR
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| BDBM50397106 |
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| n/a |
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| Name | BDBM50397106 |
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| Synonyms: | CHEMBL2171660 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H34N2O3 |
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| Mol. Mass. | 398.5384 |
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| SMILES | COc1ccc(cc1OC1CCCC1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:16| |
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| Structure | 
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