Reaction Details |
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Target | Lactoperoxidase |
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Ligand | BDBM50238832 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1664243 (CHEMBL4013924) |
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IC50 | 3900±n/a nM |
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Citation | Soubhye, J; Chikh Alard, I; Aldib, I; Prévost, M; Gelbcke, M; De Carvalho, A; Furtmüller, PG; Obinger, C; Flemmig, J; Tadrent, S; Meyer, F; Rousseau, A; Nève, J; Mathieu, V; Zouaoui Boudjeltia, K; Dufrasne, F; Van Antwerpen, P Discovery of Novel Potent Reversible and Irreversible Myeloperoxidase Inhibitors Using Virtual Screening Procedure. J Med Chem60:6563-6586 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Lactoperoxidase |
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Name: | Lactoperoxidase |
Synonyms: | LPO | Lactoperoxidase (LPO) | PERL_BOVIN |
Type: | Enzyme |
Mol. Mass.: | 80659.97 |
Organism: | Bos taurus (Bovine) |
Description: | P80025 |
Residue: | 712 |
Sequence: | MWVCLQLPVFLASVTLFEVAASDTIAQAASTTTISDAVSKVKIQVNKAFLDSRTRLKTTL
SSEAPTTQQLSEYFKHAKGRTRTAIRNGQVWEESLKRLRRDTTLTNVTDPSLDLTALSWE
VGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQ
RKTRNGFRVPLAREVSNKIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNE
HSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPFFRAGFVCPTPPYQSLAREQINAV
TSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFINTT
ARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAF
IQIITFRDYLPIVLGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDE
NYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLLAKKSKLMNQDKMVTSELRNKLFQ
PTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKLMDL
YKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDS
LQKVSFSRLICDNTHITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN
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BDBM50238832 |
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n/a |
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Name | BDBM50238832 |
Synonyms: | CHEMBL4080413 |
Type | Small organic molecule |
Emp. Form. | C10H10FN5 |
Mol. Mass. | 219.2183 |
SMILES | [#6]-c1nc(\[#7]=[#6](/[#7])-[#7])nc2cc(F)ccc12 |
Structure |
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