| Reaction Details |
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 | Report a problem with these data |
| Target | Endochitinase A1 |
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| Ligand | BDBM81508 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_828637 (CHEMBL2060194) |
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| IC50 | >1000000±n/a nM |
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| Citation |  Schüttelkopf, AW; Andersen, OA; Rao, FV; Allwood, M; Rush, CL; Eggleston, IM; van Aalten, DM Bisdionin C-a rationally designed, submicromolar inhibitor of family 18 chitinases. ACS Med Chem Lett2:428-432 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Endochitinase A1 |
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| Name: | Endochitinase A1 |
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| Synonyms: | CHIA1_ASPFM | Chitinase (chiA1) | chi1 | chiA1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 83057.83 |
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| Organism: | Neosartorya fumigata (Aspergillus fumigatus) |
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| Description: | Q873Y0 |
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| Residue: | 825 |
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| Sequence: | MVSSKLSFVATAVAALAPLASAFDASSRSNLAIYWGQGPNQLRLSHFCQETSLDIINIGF
INYFPDMSPGHWPGSNFGNQCDGSVYVTNDGVVTKLLSGCHQIMEDIPICQAAGKKVLLS
IGGAYPPDQSILSEDSAVAFATFLWGAFGPVAEGWEGPRPFGDVVVDGFDFDIEHNGGFG
YATMVNTFRQYFNQVPERKFYLSAAPQCIIPDAQLSDAIFNAAFDFIWIQYYNTAACSAK
SFIDTSLGTFNFDAWVTVLKASASKDAKLYVGLPASETAANQGYYLTPDEVESLVSTYMD
RYPDTFGGIMLWEATASENNQIDGAPYADHMKDILLHCDPSPPVTSSSAVPSSTPVTTPS
PSSSAVPSSTPAVSETPSPSSSAVPSSTPVASSTPVVPGTSASSSPVSSSSAIAPSTPVV
PGTSTPSSTPVASSTPVVPGTSASSSPVSSSSAVASSTPVVPGTSVPSSTPAIPGGSSSS
SEAVASSTPLVTLTLTVSPTPAPSSSESSSTDLSSSTQTDVGTAPSQPAGPSTTATATTS
SSSSSTDESSTTVGSGNGNGSGSTTTTAATDSITAAPTATSSATATGATSEPVTITTIIV
TSYIDICPTGFTTVTTTYTTTYCPGTNTATATATVTNPPSGPGGAGSQTTAPTVPEGWTT
TVTVCTQCAAKPTTVTLTLPVTETGSTSTDAVPAPPAATGEGSNPTQPSGASPTGGNGSF
SEEPVPPPAVTQVSTSTEIVTLVRPTSSRPLILGTGTVHPSSTLAVKPSAKPSGQNSGSS
SHVPIPPSYTQEAVSPLSTGAASRVTGLGHGLVLTVLTLSAFFVL
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| BDBM81508 |
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| n/a |
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| Name | BDBM81508 |
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| Synonyms: | Bisdionin C |
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| Type | Small organic molecule |
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| Emp. Form. | C17H20N8O4 |
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| Mol. Mass. | 400.3919 |
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| SMILES | Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12 |
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| Structure | 
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