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Target
Endochitinase B1
Ligand
BDBM50388141
Substrate
n/a
Meas. Tech.
ChEMBL_828634 (CHEMBL2060191)
IC50
4800±n/a nM
Citation
 Schüttelkopf, AW; Andersen, OA; Rao, FV; Allwood, M; Rush, CL; Eggleston, IM; van Aalten, DM Bisdionin C-a rationally designed, submicromolar inhibitor of family 18 chitinases. ACS Med Chem Lett 2:428-432 (2011) [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:
BDBM50388141
Synonyms:
CHEMBL1232048
Type:
Small organic molecule
Emp. Form.:
C16H18N8O4
Mol. Mass.:
386.3653
SMILES:
Cn1cnc2n(C)c(=O)n(CCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12
Structure:
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