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Target
Chitotriosidase-1
Ligand
BDBM50587857
Substrate
n/a
Meas. Tech.
ChEMBL_2185507 (CHEMBL5097589)
Ki
350±n/a nM
Citation
 Gaba, S; Saini, A; Singh, G; Monga, V An insight into the medicinal attributes of berberine derivatives: A review. Bioorg Med Chem 38:0 (2021) [PubMed] 
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:
BDBM50587857
Synonyms:
CHEMBL5199149
Type:
Small organic molecule
Emp. Form.:
C25H18ClFN2O5
Mol. Mass.:
480.872
SMILES:
[Cl-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC(=O)c1ccc(F)nc1
Structure:
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