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Target
Endochitinase A1
Ligand
BDBM50331842
Substrate
n/a
Meas. Tech.
ChEMBL_686888 (CHEMBL1291257)
IC50
>1000000±n/a nM
Citation
 Schüttelkopf, AW; Gros, L; Blair, DE; Frearson, JA; van Aalten, DM; Gilbert, IH Acetazolamide-based fungal chitinase inhibitors. Bioorg Med Chem 18:8334-40 (2010) [PubMed]  Article 
Target
Name:
Endochitinase A1
Synonyms:
CHIA1_ASPFM | Chitinase (chiA1) | chi1 | chiA1
Type:
Enzyme
Mol. Mass.:
83057.83
Organism:
Neosartorya fumigata (Aspergillus fumigatus)
Description:
Q873Y0
Residue:
825
Sequence:
MVSSKLSFVATAVAALAPLASAFDASSRSNLAIYWGQGPNQLRLSHFCQETSLDIINIGFINYFPDMSPGHWPGSNFGNQCDGSVYVTNDGVVTKLLSGCHQIMEDIPICQAAGKKVLLSIGGAYPPDQSILSEDSAVAFATFLWGAFGPVAEGWEGPRPFGDVVVDGFDFDIEHNGGFGYATMVNTFRQYFNQVPERKFYLSAAPQCIIPDAQLSDAIFNAAFDFIWIQYYNTAACSAKSFIDTSLGTFNFDAWVTVLKASASKDAKLYVGLPASETAANQGYYLTPDEVESLVSTYMDRYPDTFGGIMLWEATASENNQIDGAPYADHMKDILLHCDPSPPVTSSSAVPSSTPVTTPSPSSSAVPSSTPAVSETPSPSSSAVPSSTPVASSTPVVPGTSASSSPVSSSSAIAPSTPVVPGTSTPSSTPVASSTPVVPGTSASSSPVSSSSAVASSTPVVPGTSVPSSTPAIPGGSSSSSEAVASSTPLVTLTLTVSPTPAPSSSESSSTDLSSSTQTDVGTAPSQPAGPSTTATATTSSSSSSTDESSTTVGSGNGNGSGSTTTTAATDSITAAPTATSSATATGATSEPVTITTIIVTSYIDICPTGFTTVTTTYTTTYCPGTNTATATATVTNPPSGPGGAGSQTTAPTVPEGWTTTVTVCTQCAAKPTTVTLTLPVTETGSTSTDAVPAPPAATGEGSNPTQPSGASPTGGNGSFSEEPVPPPAVTQVSTSTEIVTLVRPTSSRPLILGTGTVHPSSTLAVKPSAKPSGQNSGSSSHVPIPPSYTQEAVSPLSTGAASRVTGLGHGLVLTVLTLSAFFVL
  
Inhibitor
Name:
BDBM50331842
Synonyms:
CHEMBL173915 | N-(5-(3-methoxybenzylthio)-1,3,4-thiadiazol-2-yl)acetamide | N-[5-(3-Methoxy-benzylsulfanyl)-[1,3,4]thiadiazol-2-yl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C12H13N3O2S2
Mol. Mass.:
295.381
SMILES:
COc1cccc(CSc2nnc(NC(C)=O)s2)c1
Structure:
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