Reaction Details Report a problem with these data
Target
Chitotriosidase-1
Ligand
BDBM50214360
Substrate
n/a
Meas. Tech.
ChEBML_49251
IC50
41.1±n/a nM
Citation
 Sakuda, S; Sakurada, M Preparation of biotinylated allosamidins with strong chitinase inhibitory activities. Bioorg Med Chem Lett 8:2987-90 (1998) [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:
BDBM50214360
Synonyms:
CHEMBL327266
Type:
Small organic molecule
Emp. Form.:
C41H67N9O16S
Mol. Mass.:
974.086
SMILES:
[H][C@@]12CSC(CCCCC(=O)NCCCCCC(=O)N\N=C\C(NC(C)=O)C(OC(CO)C=O)OC3C(CO)OC(OC4C(O)C5N=C(OC5C4CO)N(C)C)C(NC(C)=O)C3O)[C@]1([H])NC(=O)N2 |c:46|
Structure:
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