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Target
Chitotriosidase-1
Ligand
BDBM50541930
Substrate
n/a
Meas. Tech.
ChEMBL_1985609 (CHEMBL4619015)
IC50
49±n/a nM
Citation
 Andryianau, G; Kowalski, M; Piotrowicz, MC; Rajkiewicz, AA; Dymek, B; Sklepkiewicz, PL; Pluta, E; Stefaniak, F; Czestkowski, W; Olejniczak, S; Mazur, M; Niedziejko, P; Koralewski, R; Matyszewski, K; Gruza, M; Zagozdzon, A; Salamon, M; Rymaszewska, A; Welzer, M; Dzwonek, K; Golab, J; Olczak, J; Bartoszewicz, A; Golebiowski, A Benzoxazepine-Derived Selective, Orally Bioavailable Inhibitor of Human Acidic Mammalian Chitinase. ACS Med Chem Lett 11:1228-1235 (2020) [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:
BDBM50541930
Synonyms:
CHEMBL4637417
Type:
Small organic molecule
Emp. Form.:
C22H27ClN6O
Mol. Mass.:
426.942
SMILES:
Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1O
Structure:
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