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Target
Endochitinase A1
Ligand
BDBM50559067
Substrate
n/a
Meas. Tech.
ChEMBL_2067739 (CHEMBL4722992)
IC50
2600±n/a nM
Citation
 Liu, W; Yuan, L; Wang, S Recent Progress in the Discovery of Antifungal Agents Targeting the Cell Wall. J Med Chem 63:12429-12459 (2020) [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:
BDBM50559067
Synonyms:
CHEMBL4778111
Type:
Small organic molecule
Emp. Form.:
C13H11N3O3
Mol. Mass.:
257.2447
SMILES:
COc1ccccc1-c1noc2nc(C)[nH]c(=O)c12
Structure:
Search PDB for entries with ligand similarity: