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Target
Endochitinase A1
Ligand
BDBM10853
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±0
Temperature
310.15±0 K
IC50
>3800000±0 nM
Citation
 Rush, CL; Schüttelkopf, AW; Hurtado-Guerrero, R; Blair, DE; Ibrahim, AF; Desvergnes, S; Eggleston, IM; van Aalten, DM Natural product-guided discovery of a fungal chitinase inhibitor. Chem Biol 17:1275-81 (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:
BDBM10853
Synonyms:
(2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(methylcarbamoyl)amino]methanimidoyl}amino)propyl]-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid | Argifin
Type:
Small organic molecule
Emp. Form.:
C29H41N9O10
Mol. Mass.:
675.6901
SMILES:
CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O |r|
Structure:
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