Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetChitotriosidase-1
LigandBDBM349923
Substrate/Competitorn/a
Meas. Tech.Human CHIT1 Activity Assay
IC50<100±n/a nM
Citation Mazur, MKoralewski, RBorek, BOlejniczak, SCzestkowski, WJPiotrowicz, MCOlczak, JPGolebiowski, AABartoszewicz, AMaziarz, EKowalski, M Substituted amino triazoles useful as human chitinase inhibitors US Patent US9944624 Publication Date 4/17/2018
More Info.:Get all data from this article,  Assay Method
 
Chitotriosidase-1
Name:Chitotriosidase-1
Synonyms:CHIT1 | CHIT1_HUMAN | Chitinase 1 | Chitinase-1 | Chitotriosidase | Chitotriosidase-1 | Chitotriosidase-1 (CHIT1)
Type:Enzyme
Mol. Mass.:51682.25
Organism:Homo sapiens (Human)
Description:Q13231
Residue:466
Sequence:
MVRSVAWAGFMVLLMIPWGSAAKLVCYFTNWAQYRQGEARFLPKDLDPSLCTHLIYAFAG
MTNHQLSTTEWNDETLYQEFNGLKKMNPKLKTLLAIGGWNFGTQKFTDMVATANNRQTFV
NSAIRFLRKYSFDGLDLDWEYPGSQGSPAVDKERFTTLVQDLANAFQQEAQTSGKERLLL
SAAVPAGQTYVDAGYEVDKIAQNLDFVNLMAYDFHGSWEKVTGHNSPLYKRQEESGAAAS
LNVDAAVQQWLQKGTPASKLILGMPTYGRSFTLASSSDTRVGAPATGSGTPGPFTKEGGM
LAYYEVCSWKGATKQRIQDQKVPYIFRDNQWVGFDDVESFKTKVSYLKQKGLGGAMVWAL
DLDDFAGFSCNQGRYPLIQTLRQELSLPYLPSGTPELEVPKPGQPSEPEHGPSPGQDTFC
QGKADGLYPNPRERSSFYSCAAGRLFQQSCPTGLVFSNSCKCCTWN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM349923
n/a
NameBDBM349923
Synonyms:2-((2R,5S)-4-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperidin-4-yl)-5-(4-chlorobenzyl)morpholin-2-yl)propan-2-ol | US10208020, Example 13 | US10538508, Example 13 | US9944624, Ex. 13
TypeSmall organic molecule
Emp. Form.C21H31ClN6O2
Mol. Mass.434.963
SMILESCC(C)(O)[C@H]1CN(C(Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: