| Reaction Details |
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 | Report a problem with these data |
| Target | Phosphodiesterase |
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| Ligand | BDBM50453172 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1749240 (CHEMBL4183750) |
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| Ki | 631±n/a nM |
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| Citation |  Blaazer, AR; Singh, AK; de Heuvel, E; Edink, E; Orrling, KM; Veerman, JJN; van den Bergh, T; Jansen, C; Balasubramaniam, E; Mooij, WJ; Custers, H; Sijm, M; Tagoe, DNA; Kalejaiye, TD; Munday, JC; Tenor, H; Matheeussen, A; Wijtmans, M; Siderius, M; de Graaf, C; Maes, L; de Koning, HP; Bailey, DS; Sterk, GJ; de Esch, IJP; Brown, DG; Leurs, R Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J Med Chem61:3870-3888 (2018) [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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| BDBM50453172 |
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| n/a |
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| Name | BDBM50453172 |
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| Synonyms: | CHEMBL4216582 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H34N4O4 |
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| Mol. Mass. | 514.6154 |
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| SMILES | [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)N1CCC[C@@H]1C(N)=O |r,c:3,9| |
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| Structure | 
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