Reaction Details Report a problem with these data
Target
Chitotriosidase-1
Ligand
BDBM50453495
Substrate
n/a
Meas. Tech.
ChEMBL_1750198 (CHEMBL4184958)
IC50
29±n/a nM
Citation
  TBA Bioorg Med Chem Lett 28:310-314 (2018) [PubMed]  Article 
Target
Name:
Chitotriosidase-1
Synonyms:
3.2.1.14 | CHIT1_MOUSE | Chit1 | Chitinase-1 | Chitotriosidase-1
Type:
PROTEIN
Mol. Mass.:
51108.04
Organism:
Mus musculus
Description:
ChEMBL_117450
Residue:
464
Sequence:
MVQSLAWAGVMTLLMVQWGSAAKLVCYLTNWSQYRTEAVRFFPRDVDPNLCTHVIFAFAGMDNHQLSTVEHNDELLYQELNSLKTKNPKLKTLLAVGGWTFGTQKFTDMVATASNRQTFVKSALSFLRTQGFDGLDLDWEFPGGRGSPTVDKERFTALIQDLAKAFQEEAQSSGKERLLLTAAVPSDRGLVDAGYEVDKIAQSLDFINLMAYDFHSSLEKTTGHNSPLYKRQGESGAAAEQNVDAAVTLWLQKGTPASKLILGMPTYGRSFTLASSSDNGVGAPATGPGAPGPYTKDKGVLAYYEACSWKERHRIEDQKVPYAFQDNQWVSFDDVESFKAKAAYLKQKGLGGAMVWVLDLDDFKGSFCNQGPYPLIRTLRQELNLPSETPRSPEQIIPEPRPSSMPEQGPSPGLDNFCQGKADGVYPNPGDESTYYNCGGGRLFQQSCPPGLVFRASCKCCTWS
  
Inhibitor
Name:
BDBM50453495
Synonyms:
CHEMBL4202739
Type:
Small organic molecule
Emp. Form.:
C21H30ClN7O
Mol. Mass.:
431.962
SMILES:
[H][C@@]12C[C@H](O)CN1C[C@H](Cc1ccc(Cl)cc1)N(C2)C1CCN(CC1)c1n[nH]c(N)n1 |r|
Structure:
Search PDB for entries with ligand similarity: