Reaction Details Report a problem with these data
Target
Endochitinase B1
Ligand
BDBM81343
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
5.5±0
IC50
8.1e+4± 4e+3 nM
Citation
 Andersen, OA; Nathubhai, A; Dixon, MJ; Eggleston, IM; van Aalten, DM Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin. Chem Biol 15:295-301 (2008) [PubMed]  Article 
Target
Name:
Endochitinase B1
Synonyms:
AfChiB1 | CHIB1_ASPFM | Chitinase B1 | Class V chitinase ChiB1 | chiB1
Type:
Enzyme
Mol. Mass.:
47612.97
Organism:
Aspergillus fumigatus
Description:
Q873X9
Residue:
433
Sequence:
MRFATSTIVKVALLLSSLCVDAAVMWNRDTSSTDLEARASSGYRSVVYFVNWAIYGRNHNPQDLPVERLTHVLYAFANVRPETGEVYMTDSWADIEKHYPGDSWSDTGNNVYGCIKQLYLLKKQNRNLKVLLSIGGWTYSPNFAPAASTDAGRKNFAKTAVKLLQDLGFDGLDIDWEYPENDQQANDFVLLLKEVRTALDSYSAANAGGQHFLLTVASPAGPDKIKVLHLKDMDQQLDFWNLMAYDYAGSFSSLSGHQANVYNDTSNPLSTPFNTQTALDLYRAGGVPANKIVLGMPLYGRSFANTDGPGKPYNGVGQGSWENGVWDYKALPQAGATEHVLPDIMASYSYDATNKFLISYDNPQVANLKSGYIKSLGLGGAMWWDSSSDKTGSDSLITTVVNALGGTGVFEQSQNELDYPVSQYDNLRNGMQT
  
Inhibitor
Name:
BDBM81343
Synonyms:
Monopeptide
Type:
Small organic molecule
Emp. Form.:
C11H22N6O3
Mol. Mass.:
286.3308
SMILES:
CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)NC |r,w:7.7|
Structure:
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