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Target
Endochitinase B1
Ligand
BDBM50173286
Substrate
n/a
Meas. Tech.
ChEMBL_320946 (CHEMBL882465)
Ki
17±n/a nM
Citation
 Dixon, MJ; Andersen, OA; van Aalten, DM; Eggleston, IM An efficient synthesis of argifin: a natural product chitinase inhibitor with chemotherapeutic potential. Bioorg Med Chem Lett 15:4717-21 (2005) [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:
BDBM50173286
Synonyms:
5-[3-[amino-(methylcarbamoylamino)methylidene]aminopropyl]-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid | CHEMBL197199
Type:
Small organic molecule
Emp. Form.:
C29H41N9O10
Mol. Mass.:
675.6901
SMILES:
CNC(=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,w:7.7|
Structure:
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