Target
Endochitinase B1 [Y245F]
Ligand
BDBM10854
Substrate
BDBM10852
Meas. Tech.
Enzyme Inhibition Assay
Kd
5570±n/a nM
Citation
 Rao, FVHouston, DRBoot, RGAerts, JMHodkinson, MAdams, DJShiomi, KOmura, Svan Aalten, DM Specificity and affinity of natural product cyclopentapeptide inhibitors against A. fumigatus, human, and bacterial chitinases. Chem Biol 12:65-76 (2005) [PubMed]  Article 
Target
Name:
Endochitinase B1 [Y245F]
Synonyms:
AfChiB1(Y245F) | CHIB1_ASPFM | Chitinase Mutant (Y245F) | Class V chitinase ChiB1mutant Y245F | chiB1
Type:
Enzyme
Mol. Mass.:
47596.97
Organism:
Aspergillus fumigatus
Description:
Q873X9[Y245F]
Residue:
433
Sequence:
MRFATSTIVKVALLLSSLCVDAAVMWNRDTSSTDLEARASSGYRSVVYFVNWAIYGRNHNPQDLPVERLTHVLYAFANVRPETGEVYMTDSWADIEKHYPGDSWSDTGNNVYGCIKQLYLLKKQNRNLKVLLSIGGWTYSPNFAPAASTDAGRKNFAKTAVKLLQDLGFDGLDIDWEYPENDQQANDFVLLLKEVRTALDSYSAANAGGQHFLLTVASPAGPDKIKVLHLKDMDQQLDFWNLMAFDYAGSFSSLSGHQANVYNDTSNPLSTPFNTQTALDLYRAGGVPANKIVLGMPLYGRSFANTDGPGKPYNGVGQGSWENGVWDYKALPQAGATEHVLPDIMASYSYDATNKFLISYDNPQVANLKSGYIKSLGLGGAMWWDSSSDKTGSDSLITTVVNALGGTGVFEQSQNELDYPVSQYDNLRNGMQT
  
Inhibitor
Name:
BDBM10854
Synonyms:
4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethanimidoyl)amino]propyl}-18-hydroxy-16-(1H-imidazol-4-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentaazatricyclo[15.2.1.0^{4,8}]icosan-13-yl]butanoic acid | Argadin | CHEMBL445236
Type:
Small organic molecule
Emp. Form.:
C29H42N10O9
Mol. Mass.:
674.7054
SMILES:
CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate