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TargetChitinase (chiA1)
LigandBDBM10853
Substrate/Competitorn/a
Meas. Tech.Enzyme Inhibition Assay
pH5.5±0
Temperature310.15±0 K
IC50>3800000±0 nM
Citation Rush, CLSchüttelkopf, AWHurtado-Guerrero, RBlair, DEIbrahim, AFDesvergnes, SEggleston, IMvan Aalten, DM Natural product-guided discovery of a fungal chitinase inhibitor. Chem Biol17:1275-81 (2010) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Chitinase (chiA1)
Name:Chitinase (chiA1)
Synonyms:n/a
Type:Enzyme
Mol. Mass.:83057.83
Organism:Neosartorya fumigata (Aspergillus fumigatus)
Description:Q873Y0
Residue:825
Sequence:
MVSSKLSFVATAVAALAPLASAFDASSRSNLAIYWGQGPNQLRLSHFCQETSLDIINIGF
INYFPDMSPGHWPGSNFGNQCDGSVYVTNDGVVTKLLSGCHQIMEDIPICQAAGKKVLLS
IGGAYPPDQSILSEDSAVAFATFLWGAFGPVAEGWEGPRPFGDVVVDGFDFDIEHNGGFG
YATMVNTFRQYFNQVPERKFYLSAAPQCIIPDAQLSDAIFNAAFDFIWIQYYNTAACSAK
SFIDTSLGTFNFDAWVTVLKASASKDAKLYVGLPASETAANQGYYLTPDEVESLVSTYMD
RYPDTFGGIMLWEATASENNQIDGAPYADHMKDILLHCDPSPPVTSSSAVPSSTPVTTPS
PSSSAVPSSTPAVSETPSPSSSAVPSSTPVASSTPVVPGTSASSSPVSSSSAIAPSTPVV
PGTSTPSSTPVASSTPVVPGTSASSSPVSSSSAVASSTPVVPGTSVPSSTPAIPGGSSSS
SEAVASSTPLVTLTLTVSPTPAPSSSESSSTDLSSSTQTDVGTAPSQPAGPSTTATATTS
SSSSSTDESSTTVGSGNGNGSGSTTTTAATDSITAAPTATSSATATGATSEPVTITTIIV
TSYIDICPTGFTTVTTTYTTTYCPGTNTATATATVTNPPSGPGGAGSQTTAPTVPEGWTT
TVTVCTQCAAKPTTVTLTLPVTETGSTSTDAVPAPPAATGEGSNPTQPSGASPTGGNGSF
SEEPVPPPAVTQVSTSTEIVTLVRPTSSRPLILGTGTVHPSSTLAVKPSAKPSGQNSGSS
SHVPIPPSYTQEAVSPLSTGAASRVTGLGHGLVLTVLTLSAFFVL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM10853
NameBDBM10853
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
TypeSmall organic molecule
Emp. Form.C29H41N9O10
Mol. Mass.675.6901
SMILESCNC(=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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n/a