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Target
Chitotriosidase-1
Ligand
BDBM50504017
Substrate
n/a
Meas. Tech.
ChEMBL_1813252 (CHEMBL4312826)
IC50
27±n/a nM
Citation
 Mazur, M; Dymek, B; Koralewski, R; Sklepkiewicz, P; Olejniczak, S; Mazurkiewicz, M; Piotrowicz, M; Salamon, M; J?drzejczak, K; Zagozdzon, A; Czestkowski, W; Matyszewski, K; Borek, B; Bartoszewicz, A; Pluta, E; Rymaszewska, A; Mozga, W; Stefaniak, F; Dobrza?ski, P; Dzwonek, K; Golab, J; Golebiowski, A; Olczak, J Development of Dual Chitinase Inhibitors as Potential New Treatment for Respiratory System Diseases. J Med Chem 62:7126-7145 (2019) [PubMed]  Article 
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:
BDBM50504017
Synonyms:
CHEMBL4541831
Type:
Small organic molecule
Emp. Form.:
C20H29ClN6O
Mol. Mass.:
404.937
SMILES:
Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCO1
Structure:
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