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Target
Chitotriosidase-1
Ligand
BDBM388687
Substrate
n/a
Meas. Tech.
HumanCHIT1 Activity Assay
IC50
5500±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, ML Substituted amino triazoles useful as human chitinase inhibitors US Patent  US10538508 Publication Date 1/21/2020 
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:
BDBM388687
Synonyms:
5-(4-((3S,8aS)-3-(4-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)piperidin-1-yl)-4H-1,2,4-triazol-3-amine | US10538508, Example 49 | US9944624, Ex. 49
Type:
Small organic molecule
Emp. Form.:
C21H30ClN7
Mol. Mass.:
415.963
SMILES:
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H]2CCCN2CC1Cc1ccc(Cl)cc1 |r|
Structure:
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