Target
Endochitinase A1
Ligand
BDBM50331841
Substrate
n/a
Meas. Tech.
ChEMBL_686888 (CHEMBL1291257)
IC50
>1000000±n/a nM
Citation
 Schüttelkopf, AWGros, LBlair, DEFrearson, JAvan Aalten, DMGilbert, 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:
BDBM50331841
Synonyms:
CHEMBL1288884 | N-(5-(4-methylbenzoyl)-1,3,4-thiadiazol-2-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C12H11N3O2S
Mol. Mass.:
261.3
SMILES:
CC(=O)Nc1nnc(s1)C(=O)c1ccc(C)cc1
Structure:
Search PDB for entries with ligand similarity: