Reaction Details Report a problem with these data
Target
Chitotriosidase-1
Ligand
BDBM50514507
Substrate
n/a
Meas. Tech.
ChEMBL_1856959 (CHEMBL4357688)
Ki
1120±n/a nM
Citation
 Jiang, X; Kumar, A; Motomura, Y; Liu, T; Zhou, Y; Moro, K; Zhang, KYJ; Yang, Q A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors. J Med Chem 63:987-1001 (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:
BDBM50514507
Synonyms:
CHEMBL1583158
Type:
Small organic molecule
Emp. Form.:
C24H24N6O3
Mol. Mass.:
444.4858
SMILES:
Cc1cccn2c1nc1n(CC3CCCO3)c(=N)c(cc1c2=O)C(=O)NCc1cccnc1
Structure:
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