Reaction Details |
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Target | Prolyl endopeptidase |
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Ligand | BDBM554521 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Pharmacological Activity Assay |
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IC50 | 0.730±n/a nM |
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Citation | Biber, N; Brockschnieder, D; Kölling, F; Meding, J; Miyatake Ondozabal, H; Neubauer, T; Schäfer, M; Zubov, D; Terjung, C Substituted [1,2,4]triazolo[4,3-A]pyrazines as prolyl endopeptidase inhibitors US Patent US11337973 Publication Date 5/24/2022 |
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More Info.: | Get all data from this article, Assay Method |
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Prolyl endopeptidase |
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Name: | Prolyl endopeptidase |
Synonyms: | PE | PEP | POP | PPCE_HUMAN | PREP | Post-proline cleaving enzyme | Prolyl oligopeptidase |
Type: | Enzyme |
Mol. Mass.: | 80688.50 |
Organism: | Homo sapiens (Human) |
Description: | P48147 |
Residue: | 710 |
Sequence: | MLSLQYPDVYRDETAVQDYHGHKICDPYAWLEDPDSEQTKAFVEAQNKITVPFLEQCPIR
GLYKERMTELYDYPKYSCHFKKGKRYFYFYNTGLQNQRVLYVQDSLEGEARVFLDPNILS
DDGTVALRGYAFSEDGEYFAYGLSASGSDWVTIKFMKVDGAKELPDVLERVKFSCMAWTH
DGKGMFYNSYPQQDGKSDGTETSTNLHQKLYYHVLGTDQSEDILCAEFPDEPKWMGGAEL
SDDGRYVLLSIREGCDPVNRLWYCDLQQESSGIAGILKWVKLIDNFEGEYDYVTNEGTVF
TFKTNRQSPNYRVINIDFRDPEESKWKVLVPEHEKDVLEWIACVRSNFLVLCYLHDVKNI
LQLHDLTTGALLKTFPLDVGSIVGYSGQKKDTEIFYQFTSFLSPGIIYHCDLTKEELEPR
VFREVTVKGIDASDYQTVQIFYPSKDGTKIPMFIVHKKGIKLDGSHPAFLYGYGGFNISI
TPNYSVSRLIFVRHMGGILAVANIRGGGEYGETWHKGGILANKQNCFDDFQCAAEYLIKE
GYTSPKRLTINGGSNGGLLVAACANQRPDLFGCVIAQVGVMDMLKFHKYTIGHAWTTDYG
CSDSKQHFEWLVKYSPLHNVKLPEADDIQYPSMLLLTADHDDRVVPLHSLKFIATLQYIV
GRSRKQSNPLLIHVDTKAGHGAGKPTAKVIEEVSDMFAFIARCLNVDWIP
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BDBM554521 |
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n/a |
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Name | BDBM554521 |
Synonyms: | (5RS)-2-{[3-Chloro-4-(trifluoromethyl)pyridin-2-yl]methyl}-5-{[(3S)-3-fluoropyrrolidin-1-yl]carbonyl}-7-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one (Diastereomer Mixture; 2 Isomers) | US11337973, Example 25 |
Type | Small organic molecule |
Emp. Form. | C19H18ClF7N6O2 |
Mol. Mass. | 530.827 |
SMILES | F[C@H]1CCN(C1)C(=O)C1CN(CC(F)(F)F)Cc2nn(Cc3nccc(c3Cl)C(F)(F)F)c(=O)n12 |r| |
Structure |
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