Reaction Details Report a problem with these data
Target
Endochitinase A1
Ligand
BDBM50331844
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:
BDBM50331844
Synonyms:
2,2,2-trifluoro-N-(5-morpholino-1,3,4-thiadiazol-2-yl)acetamide | CHEMBL1288929
Type:
Small organic molecule
Emp. Form.:
C8H9F3N4O2S
Mol. Mass.:
282.243
SMILES:
FC(F)(F)C(=O)Nc1nnc(s1)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: