Reaction Details Report a problem with these data
Target
Chitotriosidase-1
Ligand
BDBM349958
Substrate
n/a
Meas. Tech.
Human CHIT1 Activity Assay
IC50
550±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  US10208020 Publication Date 2/19/2019 
Target
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:
MVRSVAWAGFMVLLMIPWGSAAKLVCYFTNWAQYRQGEARFLPKDLDPSLCTHLIYAFAGMTNHQLSTTEWNDETLYQEFNGLKKMNPKLKTLLAIGGWNFGTQKFTDMVATANNRQTFVNSAIRFLRKYSFDGLDLDWEYPGSQGSPAVDKERFTTLVQDLANAFQQEAQTSGKERLLLSAAVPAGQTYVDAGYEVDKIAQNLDFVNLMAYDFHGSWEKVTGHNSPLYKRQEESGAAASLNVDAAVQQWLQKGTPASKLILGMPTYGRSFTLASSSDTRVGAPATGSGTPGPFTKEGGMLAYYEVCSWKGATKQRIQDQKVPYIFRDNQWVGFDDVESFKTKVSYLKQKGLGGAMVWALDLDDFAGFSCNQGRYPLIQTLRQELSLPYLPSGTPELEVPKPGQPSEPEHGPSPGQDTFCQGKADGLYPNPRERSSFYSCAAGRLFQQSCPTGLVFSNSCKCCTWN
  
Inhibitor
Name:
BDBM349958
Synonyms:
(5S)-1-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperidin-4-yl)-5-(4-chlorobenzyl)-3-methylpyrrolidin-3-ol | US10208020, Example 48 | US10538508, Example 48 | US9944624, Ex. 48
Type:
Small organic molecule
Emp. Form.:
C19H27ClN6O
Mol. Mass.:
390.91
SMILES:
CC1(O)C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nnc(N)[nH]1 |r|
Structure:
Search PDB for entries with ligand similarity: