Target
Acidic mammalian chitinase
Ligand
BDBM50541930
Substrate
n/a
Meas. Tech.
ChEMBL_1985608 (CHEMBL4619014)
IC50
2.0±n/a nM
Citation
 Andryianau, GKowalski, MPiotrowicz, MCRajkiewicz, AADymek, BSklepkiewicz, PLPluta, EStefaniak, FCzestkowski, WOlejniczak, SMazur, MNiedziejko, PKoralewski, RMatyszewski, KGruza, MZagozdzon, ASalamon, MRymaszewska, AWelzer, MDzwonek, KGolab, JOlczak, JBartoszewicz, AGolebiowski, A Benzoxazepine-Derived Selective, Orally Bioavailable Inhibitor of Human Acidic Mammalian Chitinase. ACS Med Chem Lett 11:1228-1235 (2020) [PubMed]  Article 
Target
Name:
Acidic mammalian chitinase
Synonyms:
AMCase | Acidic mammalian chitinase (AMCase) | CHIA | CHIA_HUMAN | Lung-specific protein TSA1902
Type:
Protein
Mol. Mass.:
52266.66
Organism:
Homo sapiens (Human)
Description:
Q9BZP6
Residue:
476
Sequence:
MTKLILLTGLVLILNLQLGSAYQLTCYFTNWAQYRPGLGRFMPDNIDPCLCTHLIYAFAGRQNNEITTIEWNDVTLYQAFNGLKNKNSQLKTLLAIGGWNFGTAPFTAMVSTPENRQTFITSVIKFLRQYEFDGLDFDWEYPGSRGSPPQDKHLFTVLVQEMREAFEQEAKQINKPRLMVTAAVAAGISNIQSGYEIPQLSQYLDYIHVMTYDLHGSWEGYTGENSPLYKYPTDTGSNAYLNVDYVMNYWKDNGAPAEKLIVGFPTYGHNFILSNPSNTGIGAPTSGAGPAGPYAKESGIWAYYEICTFLKNGATQGWDAPQEVPYAYQGNVWVGYDNIKSFDIKAQWLKHNKFGGAMVWAIDLDDFTGTFCNQGKFPLISTLKKALGLQSASCTAPAQPIEPITAAPSGSGNGSGSSSSGGSSGGSGFCAVRANGLYPVANNRNAFWHCVNGVTYQQNCQAGLVFDTSCDCCNWA
  
Inhibitor
Name:
BDBM50541930
Synonyms:
CHEMBL4637417
Type:
Small organic molecule
Emp. Form.:
C22H27ClN6O
Mol. Mass.:
426.942
SMILES:
Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1O
Structure:
Search PDB for entries with ligand similarity: