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Target
Chitotriosidase-1
Ligand
BDBM349957
Substrate
n/a
Meas. Tech.
HumanCHIT1 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, 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:
BDBM349957
Synonyms:
(3S,5S)-1-(1-(5-amino-4H-1,2,4-triazol-3-yl)piperidin-4-yl)-5-(4-chlorobenzyl)pyrrolidin-3-ol | US10208020, Example 47 | US10538508, Example 47 | US11638707, Example C14. | US9944624, Ex. 47
Type:
Small organic molecule
Emp. Form.:
C18H25ClN6O
Mol. Mass.:
376.884
SMILES:
Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](O)C[C@@H]1Cc1ccc(Cl)cc1 |r|
Structure:
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