Reaction Details Report a problem with these data
Target
Chitinase
Ligand
BDBM50514507
Substrate
n/a
Meas. Tech.
ChEMBL_1856955 (CHEMBL4357684)
Ki
9.0±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:
Chitinase
Synonyms:
Chitinase | OfChi-h
Type:
PROTEIN
Mol. Mass.:
60999.67
Organism:
Ostrinia furnacalis
Description:
ChEMBL_119063
Residue:
553
Sequence:
MGRLAIVVVATLALAAAAPPGKPSLGWGERTFAIVEVNQAATAYNQLVTKRDSADVSVTWNVWSGDPADKARVLLNDKEFWSGTGGAAGSASFKVKKGGRYQMVVELCNADGCSQSDATEIIVADTDGSHLPPLDYNMGEKNKPFKQTSGKVVGAYFVEWGVYPRKFPVDRVPIPNLTHLLYGFIPICGGDGINDSLKEIEGSFQALQRSCSGREDFKVSIHDPWAALQKPQKGLSSWNEPYKGNFGQLMMLKQAKPDLKILPSIGGWTLADPFFFFTDETKRRRFVASVKDFLQTWKFFDGVDIDWEFPGGKGANPNLGSPKDGEIYVLLMKELREMLNELSAETGRKYELTSAISAGWDKIQVVDYSAAQKYMDHIFFMSYDFKGAWSNDTLGHQASLYAPDWNEKETYTTDFGVQFLLAQGVSPKKIVVGVAMYGRGWTGVHGYKDNNPFTGNATGPVKGTWQDGVVDYREIATEIAQGKWEYHYDKVAQAPYVFRPATGDLITYDDARSTIEKGKYVRANKLGGLFAWEIDADNGDILNAMNMGLGNSA
  
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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