Reaction Details Report a problem with these data
Target
Endochitinase B1
Ligand
BDBM81341
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
5.5±0
IC50
4.3e+3± 2e+2 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:
BDBM81341
Synonyms:
Tetrapeptide
Type:
Small organic molecule
Emp. Form.:
C27H40N8O9
Mol. Mass.:
620.6547
SMILES:
CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O |r,w:7.7|
Structure:
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