Molecule Details
InChIKeyFOZYKTUSOWWQGR-KNPYFFGGSA-N
Compound NameArgadin
Canonical SMILESCC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)N2C(=O)[C@H](C[C@H]2O)NC(=O)[C@H]2CCCN2C1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.26
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB04350
Drug NameArgadin
CAS Number289665-92-5
Groups experimental
ATC Codes nan
Descriptionnan
Categories: Amino Acids, Peptides, and Proteins Peptides
Cross-references: BindingDB: 10854 CHEMBL445236 ChemSpider: 395740 PubChem:449123 PubChem:46508598 Wikipedia: Argadin ZINC: ZINC000024693311
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q13231 CHIT1 Homo sapiens Human PF01607 PF00704 7.9 IC50 BindingDB
P11797 chiB Serratia marcescens Pathogen PF00704 7.7 IC50 ChEMBL;BindingDB
Q873X9 chiB1 Aspergillus fumigatus Pathogen PF00704 6.2 IC50 BindingDB
DrugBank Target Actions (2)
Target Gene Target Name Action Type
Q13231 CHIT1 Chitotriosidase-1 binder targets
Q873X9 chiB1 Endochitinase B1 binder targets