Reaction Details Report a problem with these data
Target
Acidic mammalian chitinase
Ligand
BDBM388669
Substrate
n/a
Meas. Tech.
Human AMCase Activity Assay
IC50
<100±n/a nM
Citation
 Mazur, M; Koralewski, R; Borek, B; Olejniczak, S; Czestkowski, WJ; Piotrowicz, MC; Olczak, JP; Golebiowski, AA; Bartoszewicz, A; Maziarz, E; Kowalski, M Substituted amino triazoles useful as human chitinase inhibitors US Patent  US9944624 Publication Date 4/17/2018 
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:
BDBM388669
Synonyms:
5-(4-((2S,5S)-2,5-bis(4-chlorobenzyl)-4-methylpiperazin-1-yl)piperidin-1-yl)-4H-1,2,4-triazol-3-amine | US10538508, Example 31 | US9944624, Ex. 31
Type:
Small organic molecule
Emp. Form.:
C26H33Cl2N7
Mol. Mass.:
514.493
SMILES:
CN1CC(Cc2ccc(Cl)cc2)N(C[C@@H]1Cc1ccc(Cl)cc1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Structure:
Search PDB for entries with ligand similarity: